data_2jtt_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 2jtt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 116.25 1.945 . . . . 0.0 116.25 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -41.99 -48.45 11.01 Favored Pre-proline 0 N--CA 1.471 0.609 0 N-CA-C 116.725 2.12 . . . . 0.0 116.725 -170.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -63.58 -44.47 13.98 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.203 1.935 . . . . 0.0 112.547 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.6 tp -78.95 -39.24 34.99 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.187 0.449 . . . . 0.0 111.436 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -62.0 -37.78 86.14 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.924 0.49 . . . . 0.0 110.851 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -74.79 -27.82 60.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.33 -45.53 62.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.551 1.069 . . . . 0.0 112.132 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.0 pt -66.13 -28.25 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 CA-C-N 119.331 0.969 . . . . 0.0 111.3 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.21 -30.2 76.34 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.168 1.366 . . . . 0.0 113.359 170.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -50.51 69.63 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.01 1.405 . . . . 0.0 110.03 172.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.02 -39.88 83.29 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.994 0.917 . . . . 0.0 111.74 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.09 -49.27 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 119.693 1.133 . . . . 0.0 111.317 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -26.83 73.65 Favored Glycine 0 C--N 1.341 0.82 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.86 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.69 -57.21 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.343 1.071 . . . . 0.0 109.587 168.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.55 -48.23 82.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.341 1.056 . . . . 0.0 113.158 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -72.76 -14.34 61.52 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -169.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -57.15 -43.92 82.93 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 121.066 -1.021 . . . . 0.0 111.475 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 93.5 m-85 -80.65 -34.15 35.1 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.703 1.201 . . . . 0.0 112.937 -170.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 p -72.08 -38.85 69.31 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.963 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.82 -12.29 20.57 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 126.317 1.913 . . . . 0.0 114.665 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt . . . . . 0 CA--C 1.547 0.838 0 C-N-CA 124.432 1.093 . . . . 0.0 112.962 169.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 pttt . . . . . 0 CA--C 1.544 0.718 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.444 ' CD2' HD22 ' A' ' 69' ' ' ASN . 0.4 OUTLIER -96.27 22.16 8.09 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.036 2.135 . . . . 0.0 113.671 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -127.61 158.16 38.26 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.083 2.153 . . . . 0.0 111.046 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.31 130.17 51.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.722 1.209 . . . . 0.0 110.204 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -76.53 155.23 33.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.245 0.618 . . . . 0.0 109.756 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -52.78 -37.9 60.31 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -169.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -77.98 -28.09 49.28 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.37 -34.93 61.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.674 1.189 . . . . 0.0 111.247 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.3 -46.46 90.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.705 1.602 . . . . 0.0 109.243 169.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.56 -37.03 84.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.032 -1.043 . . . . 0.0 112.609 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -49.51 76.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.488 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 8.6 tt -51.84 -51.04 59.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.916 1.234 . . . . 0.0 110.77 171.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.03 -50.24 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.297 0.953 . . . . 0.0 111.962 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -67.85 -33.11 74.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.485 1.039 . . . . 0.0 113.314 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -84.99 -27.23 26.59 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -83.9 -51.99 6.72 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.049 0.84 . . . . 0.0 111.524 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -101.26 79.83 2.03 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.243 1.817 . . . . 0.0 108.161 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 126.668 1.987 . . . . 0.0 113.882 -170.17 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.22 -28.89 68.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 121.45 1.932 . . . . 0.0 112.845 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.89 -27.19 68.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.464 1.106 . . . . 0.0 112.937 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.02 -34.76 32.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.622 0.769 . . . . 0.0 109.961 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.3 mm -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.215 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.12 -26.82 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 120.598 1.545 . . . . 0.0 112.657 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -77.92 -38.15 46.22 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.79 0.723 . . . . 0.0 112.402 169.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.6 -40.0 90.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.251 1.02 . . . . 0.0 110.903 173.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.5 ttp -59.76 -43.55 94.25 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.116 1.766 . . . . 0.0 111.339 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.68 -33.17 75.32 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.77 1.168 . . . . 0.0 113.184 172.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -68.72 -36.64 78.68 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.16 0.891 . . . . 0.0 112.458 172.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.98 -46.29 57.83 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.266 1.426 . . . . 0.0 111.743 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.64 -16.83 63.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.318 1.847 . . . . 0.0 113.251 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -62.61 -20.46 64.78 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.404 -0.81 . . . . 0.0 112.642 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -71.54 -42.91 67.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.113 0.965 . . . . 0.0 112.234 170.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -170.82 126.49 0.72 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 128.083 2.553 . . . . 0.0 110.703 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.84 -34.17 62.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -69.77 -51.0 37.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.108 0.963 . . . . 0.0 111.021 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -160.75 134.67 6.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.304 1.442 . . . . 0.0 110.91 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.4 t -90.46 124.2 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.803 1.641 . . . . 0.0 108.684 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.444 HD22 ' CD2' ' A' ' 27' ' ' HIS . 26.0 t-20 -79.03 151.18 31.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.22 0.608 . . . . 0.0 112.469 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -47.02 -43.46 19.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.894 1.678 . . . . 0.0 115.059 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -66.61 -40.36 88.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.912 0.778 . . . . 0.0 111.271 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -73.12 -32.33 64.86 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.295 1.038 . . . . 0.0 111.882 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.97 -39.1 88.3 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.27 -0.894 . . . . 0.0 110.661 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.71 -38.95 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.169 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -55.2 -40.01 70.28 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.371 1.441 . . . . 0.0 111.605 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -69.35 -42.04 75.81 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.356 0.663 . . . . 0.0 112.512 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.91 -28.15 69.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.05 0.841 . . . . 0.0 112.177 171.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.3 -41.33 96.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.104 0.859 . . . . 0.0 112.483 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.94 88.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.632 1.216 . . . . 0.0 111.615 170.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.56 -41.26 80.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.602 1.161 . . . . 0.0 112.127 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.76 -32.34 69.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.848 1.259 . . . . 0.0 112.678 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 ttt -74.31 -38.88 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.027 0.931 . . . . 0.0 112.269 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 52.5 mt -75.6 -12.86 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.296 1.839 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.56 -16.66 10.71 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.5 1.52 . . . . 0.0 114.3 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 72.03 -60.01 0.54 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 128.392 2.677 . . . . 0.0 114.088 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.32 -29.91 57.49 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.104 1.362 . . . . 0.0 112.189 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.22 90.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.043 0.937 . . . . 0.0 112.583 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.98 15.53 4.91 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.4 1.48 . . . . 0.0 113.157 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -121.41 -36.58 3.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.425 1.49 . . . . 0.0 113.13 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 C-N-CA 126.003 1.763 . . . . 0.0 113.938 173.793 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.35 -62.41 1.44 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.876 1.67 . . . . 0.0 114.552 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -43.12 90.98 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.85 -39.74 89.33 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.409 2.739 . . . . 0.0 114.387 169.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -74.32 -43.85 55.01 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.695 1.134 . . . . 0.0 111.651 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.53 -36.34 78.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.847 1.659 . . . . 0.0 112.311 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -74.65 -32.34 62.23 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 171.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -42.9 71.17 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.492 1.042 . . . . 0.0 112.063 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -66.03 -25.75 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 118.963 0.801 . . . . 0.0 111.371 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.91 -25.54 74.6 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.312 1.434 . . . . 0.0 113.888 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -47.52 73.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.256 1.528 . . . . 0.0 110.273 172.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.51 0.724 . . . . 0.0 111.569 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -74.18 -36.04 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.098 0.863 . . . . 0.0 112.07 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.08 -28.51 72.95 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.543 1.068 . . . . 0.0 112.715 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 mt -80.21 -56.58 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 110.638 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -62.72 -50.27 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -70.25 -19.99 63.1 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -168.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -63.67 -35.09 79.41 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.134 -0.978 . . . . 0.0 112.314 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -84.45 -47.02 11.07 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.729 1.212 . . . . 0.0 113.096 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -63.47 -41.56 98.59 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.392 0.996 . . . . 0.0 111.855 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.34 15.03 52.48 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.63 1.586 . . . . 0.0 114.832 178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.15 -28.07 66.98 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.385 1.592 . . . . 0.0 113.593 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -132.07 21.93 4.5 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.734 1.213 . . . . 0.0 113.495 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.17 -163.08 34.57 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.743 1.163 . . . . 0.0 113.872 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.59 3.46 44.29 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.658 1.583 . . . . 0.0 113.227 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -58.46 147.3 32.17 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.919 2.488 . . . . 0.0 114.818 -169.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -118.17 19.45 13.53 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.61 1.964 . . . . 0.0 114.12 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -124.3 156.35 37.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.378 2.271 . . . . 0.0 110.418 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.52 120.81 43.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.958 1.303 . . . . 0.0 110.752 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.8 t -78.62 173.17 12.7 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.148 0.975 . . . . 0.0 109.994 168.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.13 -38.66 71.11 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.687 -1.258 . . . . 0.0 113.453 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -70.67 -39.52 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -51.38 70.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.619 0.768 . . . . 0.0 110.807 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.14 -41.65 90.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 117.988 0.358 . . . . 0.0 110.557 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.36 -43.55 97.34 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.356 -0.84 . . . . 0.0 112.451 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -65.14 -38.22 89.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.431 0.692 . . . . 0.0 111.582 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.12 -52.68 64.54 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.598 1.159 . . . . 0.0 110.461 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.31 -52.36 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.697 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -64.26 -27.32 68.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.989 0.813 . . . . 0.0 113.129 -176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -86.85 -50.4 6.74 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.915 1.234 . . . . 0.0 113.836 174.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -85.56 -35.52 21.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -169.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mp -108.21 -17.61 13.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.757 1.223 . . . . 0.0 113.104 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.312 26.4 p . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 127.386 2.274 . . . . 0.0 109.115 -169.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.15 -28.39 67.87 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.262 -1.524 . . . . 0.0 113.63 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.68 73.0 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.454 1.102 . . . . 0.0 112.787 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -80.69 -28.59 36.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.976 0.91 . . . . 0.0 111.232 170.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -64.28 -43.11 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 120.023 1.283 . . . . 0.0 111.56 171.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.81 -24.05 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.883 1.219 . . . . 0.0 113.259 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.43 -38.7 59.62 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.996 -1.065 . . . . 0.0 111.849 169.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -39.27 88.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.392 1.077 . . . . 0.0 111.36 169.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -62.54 -43.19 99.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.941 1.296 . . . . 0.0 111.864 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.33 -35.4 80.28 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.101 1.361 . . . . 0.0 112.309 174.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -72.91 -24.9 60.89 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.828 1.251 . . . . 0.0 113.394 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.35 -48.15 36.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.036 1.334 . . . . 0.0 110.651 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.35 -13.85 62.39 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -49.93 -28.92 7.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 113.057 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -67.87 -29.46 68.59 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -140.2 -19.02 0.89 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -169.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.26 35.26 6.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.825 2.05 . . . . 0.0 113.654 170.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -166.02 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.576 1.55 . . . . 0.0 110.131 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -156.99 142.9 17.81 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.83 1.652 . . . . 0.0 110.531 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 p -92.69 135.0 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.549 1.14 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -91.33 160.86 15.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.28 1.032 . . . . 0.0 112.635 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.84 -48.57 69.83 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -169.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -67.28 -35.8 80.24 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.225 0.92 . . . . 0.0 111.537 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -70.14 -38.25 75.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.251 1.42 . . . . 0.0 111.04 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.62 -43.65 93.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.003 0.921 . . . . 0.0 111.467 169.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.9 mt -69.64 -37.56 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.387 -0.82 . . . . 0.0 112.061 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -59.89 -42.13 93.1 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.18 0.992 . . . . 0.0 111.177 173.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.45 -38.53 87.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.543 0.737 . . . . 0.0 112.301 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.02 -26.31 68.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.527 1.058 . . . . 0.0 111.943 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -36.82 87.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.336 0.97 . . . . 0.0 112.973 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.26 73.59 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.341 1.071 . . . . 0.0 112.155 170.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.11 -41.43 99.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.896 0.878 . . . . 0.0 111.398 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.808 1.243 . . . . 0.0 112.571 171.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.46 -28.49 68.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.18 0.992 . . . . 0.0 113.195 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.0 -31.89 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.894 -1.129 . . . . 0.0 112.233 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -78.23 50.22 0.89 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.49 1.116 . . . . 0.0 111.271 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.58 -28.67 56.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.158 1.783 . . . . 0.0 115.805 -169.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.99 -40.16 92.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.2 0.909 . . . . 0.0 112.219 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.66 65.78 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.15 0.98 . . . . 0.0 113.15 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.1 mt -103.29 18.12 22.5 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.233 2.213 . . . . 0.0 112.326 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.573 1.549 . . . . 0.0 111.952 173.559 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 CA-C-O 119.635 -0.536 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.95 -65.39 0.57 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.535 1.934 . . . . 0.0 111.092 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -56.13 -29.41 60.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.118 0.967 . . . . 0.0 112.873 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.72 -16.15 63.28 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.77 -40.95 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 120.048 1.295 . . . . 0.0 108.78 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.6 -35.44 80.99 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.242 1.817 . . . . 0.0 111.69 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.66 -22.95 58.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.625 1.17 . . . . 0.0 113.31 174.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -69.83 -24.09 63.4 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.577 -1.327 . . . . 0.0 113.066 174.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.3 mp -80.08 -27.56 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.988 1.315 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -54.12 -37.82 64.75 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.906 -1.121 . . . . 0.0 112.562 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.49 0.56 10.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.58 1.952 . . . . 0.0 114.312 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.86 -30.55 67.81 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.092 1.357 . . . . 0.0 113.253 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 89.28 26.5 25.61 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 115.789 1.075 . . . . 0.0 115.789 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -62.91 154.86 28.91 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 118.819 1.309 . . . . 0.0 113.989 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.88 -16.54 7.58 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 128.056 2.543 . . . . 0.0 113.426 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -87.99 -32.98 18.56 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.158 1.345 . . . . 0.0 114.586 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -59.24 -46.76 87.63 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.198 0.999 . . . . 0.0 111.682 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -18.58 65.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 174.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -82.59 -39.15 22.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.566 1.076 . . . . 0.0 111.525 169.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 67.9 m -72.84 -36.56 67.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.847 1.259 . . . . 0.0 111.969 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.2 -47.4 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 118.378 0.535 . . . . 0.0 110.169 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -59.36 -45.72 90.62 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.848 0.459 . . . . 0.0 111.53 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.68 -46.94 80.86 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.046 -1.034 . . . . 0.0 112.23 173.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.79 66.4 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.7 m95 . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 123.479 0.711 . . . . 0.0 111.338 168.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.033 0 CA-C-O 119.7 -0.5 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 27.1 tp -48.82 -67.48 0.26 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -26.31 32.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.686 1.194 . . . . 0.0 114.193 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -76.3 -19.02 58.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.156 0.889 . . . . 0.0 113.166 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.96 -36.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.666 1.187 . . . . 0.0 109.026 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.77 -30.06 68.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.229 1.412 . . . . 0.0 111.937 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.71 -35.63 66.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.38 1.072 . . . . 0.0 112.049 169.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -65.26 -17.19 64.3 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.711 -1.243 . . . . 0.0 112.821 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.17 -39.76 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.36 1.464 . . . . 0.0 111.796 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -51.63 -47.54 63.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 0.0 110.83 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.69 -0.13 32.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -107.52 -22.9 12.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.36 1.464 . . . . 0.0 113.552 171.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -61.9 153.4 41.49 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.846 1.212 . . . . 0.0 113.582 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -80.89 0.08 36.81 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 78.41 7.5 2.36 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.683 2.793 . . . . 0.0 114.071 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.03 -22.28 66.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.732 -1.23 . . . . 0.0 113.026 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 9.4 tpp -44.91 -64.96 0.59 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.176 1.79 . . . . 0.0 109.512 169.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -66.48 -27.25 67.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -68.59 -48.27 64.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.068 0.849 . . . . 0.0 110.574 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.8 m -66.28 -39.23 89.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.283 1.433 . . . . 0.0 111.514 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.03 -53.13 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.395 0.678 . . . . 0.0 110.612 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -64.56 -33.79 76.73 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.97 -55.49 32.31 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.766 1.166 . . . . 0.0 111.357 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.5 -29.32 64.21 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.842 1.257 . . . . 0.0 113.632 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 31.1 m0 . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 125.724 1.61 . . . . 0.0 113.56 175.864 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -39.45 -48.38 4.8 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.96 -33.74 25.28 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.822 1.682 . . . . 0.0 112.838 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.8 tp -80.63 -39.85 26.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.236 0.926 . . . . 0.0 111.742 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.51 -35.97 79.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.387 1.475 . . . . 0.0 112.475 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -73.02 -25.43 60.96 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 171.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.17 -45.47 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.944 1.247 . . . . 0.0 112.388 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.1 pt -64.64 -32.9 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.396 0.998 . . . . 0.0 111.204 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.4 71.53 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.476 1.036 . . . . 0.0 113.91 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -50.89 44.85 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.907 1.353 . . . . 0.0 110.203 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.13 -40.17 88.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.117 0.967 . . . . 0.0 111.731 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -69.13 -42.65 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.84 0.745 . . . . 0.0 110.7 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.64 89.92 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.294 0.949 . . . . 0.0 112.425 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mt -67.82 -54.02 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.286 1.035 . . . . 0.0 110.736 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.86 -50.68 61.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.607 1.094 . . . . 0.0 113.268 -173.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -70.47 -21.17 62.81 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.18 -42.8 91.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.943 -1.098 . . . . 0.0 112.369 169.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.51 -30.43 29.83 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.1 p -75.5 -42.76 52.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.956 1.253 . . . . 0.0 112.015 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.43 58.02 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.518 1.532 . . . . 0.0 113.993 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.123 1.369 . . . . 0.0 112.124 169.728 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.79 0.805 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -80.25 48.51 1.02 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.558 1.543 . . . . 0.0 112.757 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 p -139.19 150.34 45.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.083 2.153 . . . . 0.0 109.665 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.22 143.71 42.84 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.943 1.297 . . . . 0.0 110.152 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -80.41 146.68 31.34 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 167.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -62.19 -22.86 66.25 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -75.54 -29.41 59.41 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -78.39 -30.51 47.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.582 1.153 . . . . 0.0 111.204 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.97 -47.22 85.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.807 0.843 . . . . 0.0 110.258 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -57.34 -39.15 75.33 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.435 -0.791 . . . . 0.0 111.746 173.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.65 -46.94 88.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.566 0.746 . . . . 0.0 111.287 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -54.84 -52.31 63.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.326 1.051 . . . . 0.0 111.083 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.78 -40.03 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.951 -0.468 . . . . 0.0 112.21 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -74.7 -27.57 60.45 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.264 -0.897 . . . . 0.0 112.352 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -85.52 -44.69 12.47 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.02 -53.82 4.85 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.095 0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.4 52.44 1.02 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.004 1.322 . . . . 0.0 111.763 -169.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.47 0.547 0 C-N-CA 124.749 1.22 . . . . 0.0 110.89 178.638 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.75 -38.79 61.48 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -168.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.4 68.27 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.48 -39.92 27.12 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.367 0.531 . . . . 0.0 110.791 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.21 -31.97 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.062 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.38 -36.25 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.248 1.385 . . . . 0.0 111.931 173.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -75.26 -39.24 60.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.568 0.622 . . . . 0.0 112.619 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.12 -36.35 82.91 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.152 0.887 . . . . 0.0 111.812 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -58.98 -39.58 82.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.66 1.184 . . . . 0.0 111.184 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.46 -36.75 85.18 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.252 0.933 . . . . 0.0 113.409 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -70.02 -24.58 63.31 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.318 1.417 . . . . 0.0 113.767 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.95 -44.84 17.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.634 1.574 . . . . 0.0 112.26 170.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -73.15 -25.38 60.79 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.142 1.777 . . . . 0.0 113.769 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -11.09 16.89 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -78.73 -19.49 52.24 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 119.901 1.228 . . . . 0.0 113.942 170.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -136.33 -129.41 0.14 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.578 1.951 . . . . 0.0 111.431 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -141.22 -42.84 0.38 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -138.76 -8.47 1.41 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.512 1.525 . . . . 0.0 113.213 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.56 157.76 45.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.247 1.819 . . . . 0.0 112.645 -169.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.07 111.53 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.053 1.741 . . . . 0.0 108.628 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -80.61 149.18 29.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.234 1.414 . . . . 0.0 112.031 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.7 -48.0 72.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.35 -38.72 90.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.26 0.936 . . . . 0.0 111.035 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.85 -34.78 74.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.832 1.253 . . . . 0.0 111.928 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -61.01 -39.78 91.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.99 0.916 . . . . 0.0 110.433 169.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.9 mt -71.65 -39.29 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.601 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -56.96 -42.27 79.82 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 120.271 1.396 . . . . 0.0 110.86 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -66.57 -38.36 86.9 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt -63.43 -17.1 62.33 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.485 1.039 . . . . 0.0 112.167 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.44 -37.29 69.54 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 119.627 1.103 . . . . 0.0 111.639 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.57 69.99 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 117.938 0.869 . . . . 0.0 111.572 169.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.75 -16.64 63.35 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.105 0.962 . . . . 0.0 112.974 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.72 -44.53 15.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.128 1.371 . . . . 0.0 110.38 168.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 60.6 ttp -66.14 -33.4 75.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.748 1.219 . . . . 0.0 113.437 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 tp -52.73 -31.6 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.76 -23.73 66.36 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 65.86 -60.9 0.28 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.998 2.919 . . . . 0.0 114.665 169.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -60.66 -35.3 75.89 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.316 1.846 . . . . 0.0 111.803 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -17.96 63.81 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -108.13 17.29 22.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.848 1.659 . . . . 0.0 113.043 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.2 -29.95 13.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.979 -1.076 . . . . 0.0 113.186 170.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.386 0 C-N-CA 125.712 1.625 . . . . 0.0 113.388 -178.526 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.42 50.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.6 p -52.43 -39.92 70.6 Favored Pre-proline 0 CA--C 1.548 0.895 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.05 -34.8 27.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.578 2.185 . . . . 0.0 113.523 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.37 -41.68 55.84 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.122 1.328 . . . . 0.0 111.001 174.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.25 -44.0 79.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.375 1.47 . . . . 0.0 112.258 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.16 -19.85 61.03 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.76 -48.99 12.7 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.46 1.027 . . . . 0.0 112.381 172.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -61.69 -37.18 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.553 1.07 . . . . 0.0 110.88 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.66 70.67 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.739 1.161 . . . . 0.0 113.757 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -53.34 44.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.76 1.28 . . . . 0.0 110.249 173.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.0 -40.62 85.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.347 1.059 . . . . 0.0 111.61 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.5 mt -66.21 -46.08 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.959 0.8 . . . . 0.0 111.032 176.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.05 -32.59 69.45 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.803 1.192 . . . . 0.0 113.214 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.57 -42.85 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.073 0.949 . . . . 0.0 110.715 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -72.15 -59.57 2.67 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -66.68 -26.1 66.87 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -54.1 -38.01 64.91 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.66 1.184 . . . . 0.0 113.704 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -80.5 -24.01 39.7 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -58.86 -20.97 55.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.708 1.203 . . . . 0.0 114.191 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.41 83.1 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.193 0.902 . . . . 0.0 114.594 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -68.12 -52.18 37.84 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.289 1.544 . . . . 0.0 110.904 170.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -88.37 -21.34 24.38 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.253 0.621 . . . . 0.0 112.615 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.96 27.58 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.182 1.372 . . . . 0.0 114.078 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -96.35 169.61 9.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.255 1.822 . . . . 0.0 113.235 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -94.31 -120.76 0.1 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.176 1.391 . . . . 0.0 110.592 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -81.94 46.31 0.99 Allowed 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.672 -1.892 . . . . 0.0 113.983 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t -154.71 144.44 21.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.997 1.719 . . . . 0.0 110.296 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -117.81 142.86 46.82 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.77 1.228 . . . . 0.0 111.83 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -78.13 171.11 15.53 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.288 -0.882 . . . . 0.0 112.702 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -63.56 -46.04 87.72 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.724 -1.235 . . . . 0.0 112.574 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -73.1 -30.76 63.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.761 0.824 . . . . 0.0 112.964 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.9 -34.88 71.99 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.733 1.213 . . . . 0.0 111.688 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.89 -44.78 79.96 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.635 1.174 . . . . 0.0 109.816 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.68 -37.59 82.11 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.867 -1.146 . . . . 0.0 112.194 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.27 -48.86 80.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.703 1.201 . . . . 0.0 111.758 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.62 -54.94 26.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.603 0.761 . . . . 0.0 110.944 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -60.75 -47.72 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.304 0.502 . . . . 0.0 111.732 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -70.3 -23.06 62.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.89 -47.72 8.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.348 1.431 . . . . 0.0 113.861 169.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -85.58 -27.96 25.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.059 0.845 . . . . 0.0 113.224 -170.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.57 46.17 1.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.239 1.816 . . . . 0.0 109.237 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.468 0.464 0 C-N-CA 126.63 1.972 . . . . 0.0 113.819 -171.19 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.23 -23.33 67.38 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.215 -1.553 . . . . 0.0 111.699 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -30.66 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.536 1.534 . . . . 0.0 112.685 169.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.64 -38.89 38.51 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.714 0.806 . . . . 0.0 110.731 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.16 -42.62 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.121 0.569 . . . . 0.0 111.472 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.43 -29.86 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.165 0.893 . . . . 0.0 112.34 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -75.13 -35.39 61.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.118 0.872 . . . . 0.0 112.258 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.78 -37.18 84.08 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.583 -0.698 . . . . 0.0 111.504 171.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -61.49 -40.67 95.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.852 0.861 . . . . 0.0 111.403 170.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.76 -36.94 84.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.1 0.96 . . . . 0.0 113.083 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.05 -18.31 60.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.938 1.245 . . . . 0.0 113.436 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -81.08 -45.41 16.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.529 1.132 . . . . 0.0 110.3 169.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.13 -17.35 64.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.987 1.715 . . . . 0.0 113.409 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.19 -24.47 64.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.187 1.795 . . . . 0.0 112.571 172.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -81.66 -43.95 17.84 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.812 . . . . 0.0 112.421 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -143.11 119.1 10.65 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.783 2.033 . . . . 0.0 109.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -79.69 7.93 7.55 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.97 -71.63 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.263 1.025 . . . . 0.0 110.303 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -124.17 141.05 52.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 108.549 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -88.09 115.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.209 1.003 . . . . 0.0 110.636 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.69 153.29 31.05 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.927 0.891 . . . . 0.0 111.709 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -48.9 -43.27 39.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.013 1.325 . . . . 0.0 114.368 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -60.05 -42.37 94.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.812 0.733 . . . . 0.0 111.796 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -75.27 -33.6 61.28 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.063 0.945 . . . . 0.0 111.378 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.91 -44.58 89.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.512 1.125 . . . . 0.0 111.776 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.99 -45.22 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.926 0.784 . . . . 0.0 110.668 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.7 m -59.95 -41.17 91.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.421 1.088 . . . . 0.0 111.706 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -68.47 -40.47 80.98 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.216 1.006 . . . . 0.0 112.144 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.22 -23.06 66.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.33 0.968 . . . . 0.0 112.327 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.12 84.07 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-N 119.148 0.886 . . . . 0.0 112.21 169.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.5 69.46 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.158 0.979 . . . . 0.0 112.943 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -64.64 -46.42 82.6 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.424 0.689 . . . . 0.0 110.835 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.93 -31.3 69.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.129 0.971 . . . . 0.0 113.359 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.2 ptm -80.88 -11.47 59.58 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.8 tp -67.53 -31.17 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 120.859 1.663 . . . . 0.0 111.438 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -69.61 50.15 0.1 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.835 2.054 . . . . 0.0 113.598 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -56.32 -19.86 16.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.895 1.678 . . . . 0.0 115.125 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -55.04 -33.87 63.05 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.727 1.148 . . . . 0.0 112.185 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.38 -21.25 64.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.584 1.153 . . . . 0.0 113.834 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -98.87 -3.31 35.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.363 1.465 . . . . 0.0 112.929 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.547 0.829 0 C-N-CA 124.764 1.226 . . . . 0.0 113.688 -179.384 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.155 0 CA-C-O 121.407 0.448 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.6 pp -59.58 -27.7 66.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 113.498 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.65 -30.86 23.22 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.018 1.327 . . . . 0.0 113.079 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -71.05 -10.82 60.41 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.36 -41.46 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.574 1.55 . . . . 0.0 108.544 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.3 -42.65 99.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.156 1.782 . . . . 0.0 111.097 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 66.9 tttm -54.7 -37.22 65.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.65 1.18 . . . . 0.0 112.698 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -64.65 -25.18 67.84 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.085 -1.009 . . . . 0.0 112.523 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 59.1 mt -93.87 -42.3 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.467 1.507 . . . . 0.0 110.739 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -52.93 -44.08 66.77 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.341 1.456 . . . . 0.0 112.562 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -82.48 -0.96 48.82 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.634 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -109.62 -30.23 8.0 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.998 1.719 . . . . 0.0 112.94 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -91.22 -157.97 34.22 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 125.713 1.625 . . . . 0.0 116.1 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.77 155.7 25.93 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.991 2.516 . . . . 0.0 115.659 -169.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.43 3.96 3.11 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.478 1.911 . . . . 0.0 112.851 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -65.49 -19.1 65.79 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.773 -1.205 . . . . 0.0 113.303 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 35.8 tpp -35.78 -56.93 0.68 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 128.171 2.588 . . . . 0.0 111.932 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.14 -25.03 67.58 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 33.8 mtm105 -72.54 -34.41 67.52 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.941 0.896 . . . . 0.0 111.544 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 43.4 m -66.44 -44.05 83.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.148 0.979 . . . . 0.0 110.819 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.34 -50.12 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.289 0.636 . . . . 0.0 110.829 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -54.95 -51.29 66.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.87 0.468 . . . . 0.0 111.592 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -57.57 -49.05 77.67 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.233 -0.917 . . . . 0.0 112.383 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.78 68.64 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 124.408 1.083 . . . . 0.0 111.815 174.292 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.351 0 N-CA-C 115.648 1.019 . . . . 0.0 115.648 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 43.2 tp -55.85 -67.59 0.28 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.556 1.943 . . . . 0.0 111.72 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.23 -25.98 64.49 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -63.09 -20.9 65.79 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.926 -1.109 . . . . 0.0 113.886 172.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.64 -33.65 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.842 1.257 . . . . 0.0 109.591 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.89 -30.18 66.47 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.495 1.518 . . . . 0.0 111.486 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -55.22 -34.14 63.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.267 1.027 . . . . 0.0 112.0 171.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.91 -24.94 66.39 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.003 . . . . 0.0 113.276 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 28.1 mm -91.08 -47.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.45 1.5 . . . . 0.0 110.661 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -50.36 -45.75 55.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.915 1.286 . . . . 0.0 113.108 173.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.24 -1.88 28.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -85.23 -16.3 40.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.615 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 167.63 117.81 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.215 0.912 . . . . 0.0 114.795 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.84 -7.43 20.51 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.435 1.894 . . . . 0.0 113.42 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . 0.445 ' HA ' ' HE2' ' D' ' 208' ' ' LYS . 27.7 t70 -64.17 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 117.422 2.378 . . . . 0.0 117.422 -168.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -92.71 -25.94 18.0 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 40.3 tpp -57.92 -52.19 66.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.996 0.918 . . . . 0.0 110.357 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' D' ' 205' ' ' ASP . 29.8 pttt -60.32 -24.33 64.92 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 176.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -76.87 -40.79 46.34 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.39 0.996 . . . . 0.0 110.959 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.4 m -64.11 -46.08 85.77 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.114 1.366 . . . . 0.0 111.148 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.05 -49.38 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 122.839 0.456 . . . . 0.0 111.007 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -55.3 -48.87 73.47 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.61 0.641 . . . . 0.0 112.058 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.22 -52.43 64.47 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.078 -1.014 . . . . 0.0 112.1 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.54 68.83 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.4 m95 . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 124.413 1.085 . . . . 0.0 113.441 176.379 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -71.19 -31.77 2.08 Favored Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 118.83 2.9 . . . . 0.0 118.83 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -71.18 -41.55 2.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 123.153 2.162 . . . . 0.0 114.157 -169.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.07 -36.96 40.02 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.563 1.074 . . . . 0.0 111.301 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.46 -40.17 81.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.806 1.242 . . . . 0.0 112.493 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.61 -33.51 72.78 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.448 0.567 . . . . 0.0 112.287 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.46 66.7 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.383 0.992 . . . . 0.0 112.751 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.2 pt -67.28 -29.78 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.377 -0.827 . . . . 0.0 111.333 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.97 88.66 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.465 1.031 . . . . 0.0 113.017 170.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -54.01 43.16 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.012 1.325 . . . . 0.0 110.916 175.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.61 -42.58 67.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.883 1.673 . . . . 0.0 112.452 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.8 mt -65.24 -48.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.504 0.593 . . . . 0.0 111.195 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.74 -28.71 71.76 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.092 0.853 . . . . 0.0 113.405 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 mt -72.07 -47.21 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.398 1.099 . . . . 0.0 111.374 170.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -63.21 -47.44 82.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.37 -22.56 61.12 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -169.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.26 -44.19 71.62 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.186 0.903 . . . . 0.0 112.048 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.61 -36.85 23.58 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.903 1.281 . . . . 0.0 113.378 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 t -64.75 -44.13 91.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.14 4.85 85.4 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.49 1.043 . . . . 0.0 114.704 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm . . . . . 0 N--CA 1.477 0.91 0 CA-C-N 119.039 1.419 . . . . 0.0 114.184 -169.762 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 pttp . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -119.1 31.19 6.75 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.96 1.304 . . . . 0.0 112.891 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.0 p -135.87 147.68 48.31 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.306 1.842 . . . . 0.0 111.416 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -111.92 123.1 49.52 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.905 1.282 . . . . 0.0 110.309 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.2 m -77.89 168.06 20.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.018 0.527 . . . . 0.0 111.087 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -56.58 -47.55 79.31 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.7 -1.875 . . . . 0.0 114.613 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -70.84 -40.37 72.42 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.191 -0.943 . . . . 0.0 111.885 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.36 -33.66 75.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.629 1.571 . . . . 0.0 112.041 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.77 -50.59 49.15 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.961 1.704 . . . . 0.0 110.295 169.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -54.26 -38.22 65.57 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.76 1.164 . . . . 0.0 112.852 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -56.01 -52.71 63.24 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.097 0.862 . . . . 0.0 110.648 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -55.59 -55.85 27.25 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.665 0.786 . . . . 0.0 111.084 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -70.61 -17.71 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.003 1.274 . . . . 0.0 114.378 -174.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -82.16 -43.38 17.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.047 1.294 . . . . 0.0 111.846 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -85.2 -36.63 20.88 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.67 -54.96 4.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 109.67 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.7 51.85 2.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.044 0.937 . . . . 0.0 110.139 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 127.857 2.463 . . . . 0.0 112.755 -169.779 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 120.448 0.166 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.33 -25.39 68.28 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.271 -1.518 . . . . 0.0 113.144 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.61 71.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.44 1.096 . . . . 0.0 112.804 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -81.09 -34.22 32.81 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.641 0.776 . . . . 0.0 111.345 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -62.14 -43.9 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.638 0.775 . . . . 0.0 111.488 175.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.3 -30.67 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 CA-C-N 119.262 0.937 . . . . 0.0 112.286 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -79.24 -31.38 43.55 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.008 0.822 . . . . 0.0 112.356 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.95 -43.89 81.99 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 169.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -58.62 -41.83 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.838 0.855 . . . . 0.0 112.058 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.39 -35.39 80.8 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.068 0.947 . . . . 0.0 112.937 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.07 -33.63 70.42 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.224 -0.922 . . . . 0.0 112.965 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.21 -44.02 76.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.299 1.439 . . . . 0.0 111.307 169.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.75 -32.82 74.58 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.262 1.425 . . . . 0.0 113.242 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -5.94 43.68 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.438 1.017 . . . . 0.0 113.702 172.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.94 -34.73 44.18 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.18 0.9 . . . . 0.0 110.85 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -159.6 120.16 3.1 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.069 1.748 . . . . 0.0 111.069 169.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.78 131.94 50.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.504 1.922 . . . . 0.0 114.404 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 77.19 -36.2 0.24 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 130.025 3.33 . . . . 0.0 113.532 170.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 131.81 18.14 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.717 0.807 . . . . 0.0 111.056 169.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -94.45 123.16 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.384 1.474 . . . . 0.0 108.392 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -78.74 162.23 26.3 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 111.087 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.95 -41.76 64.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.92 -48.58 81.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.005 0.522 . . . . 0.0 110.957 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -70.56 -30.34 67.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.303 1.041 . . . . 0.0 112.385 -175.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.69 -41.73 95.73 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.44 0.696 . . . . 0.0 110.797 169.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.38 -35.98 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.418 -0.801 . . . . 0.0 112.429 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.1 m -54.93 -45.03 74.77 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.389 0.995 . . . . 0.0 110.904 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -63.35 -42.74 98.93 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.78 -22.49 65.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.549 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.04 -38.0 94.88 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 119.19 0.905 . . . . 0.0 112.734 169.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.7 -43.77 68.32 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 118.09 0.945 . . . . 0.0 111.509 171.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.94 -45.88 78.67 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.203 0.601 . . . . 0.0 111.431 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.989 1.316 . . . . 0.0 113.501 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.9 tpt -73.65 -37.09 65.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.914 0.779 . . . . 0.0 111.666 170.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -31.56 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.674 0.79 . . . . 0.0 111.448 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -69.4 42.31 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.629 1.572 . . . . 0.0 112.624 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -58.24 -19.44 34.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.751 2.02 . . . . 0.0 115.701 -169.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.67 -26.15 55.69 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.709 1.14 . . . . 0.0 112.928 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.36 -25.29 67.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.85 1.26 . . . . 0.0 113.499 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.05 -29.7 15.67 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.912 1.285 . . . . 0.0 110.953 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -71.41 -40.1 70.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.607 0.763 . . . . 0.0 112.421 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.335 0 C-N-CA 125.794 1.664 . . . . 0.0 114.097 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.7 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -169.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -53.03 -38.64 62.82 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.84 -32.96 77.19 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.878 3.052 . . . . 0.0 113.757 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.28 -43.89 20.53 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.853 0.752 . . . . 0.0 111.119 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -59.28 -39.97 84.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.465 0.706 . . . . 0.0 111.817 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -71.42 -23.85 61.93 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.36 -43.23 19.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.44 1.096 . . . . 0.0 112.778 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 pt -64.9 -32.88 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 120.513 -1.367 . . . . 0.0 110.128 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -19.87 67.56 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.819 1.2 . . . . 0.0 113.369 169.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -51.55 31.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.527 1.663 . . . . 0.0 109.071 170.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -57.69 -41.7 82.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.764 0.826 . . . . 0.0 110.939 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mm -75.75 -37.19 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 118.797 0.726 . . . . 0.0 111.92 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.15 -26.85 73.36 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.199 0.904 . . . . 0.0 112.63 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 38.3 mt -74.74 -56.61 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.499 1.12 . . . . 0.0 110.785 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -63.08 -53.79 48.08 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.538 0.735 . . . . 0.0 112.349 -170.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.97 -25.12 61.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.79 -48.88 79.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.865 0.866 . . . . 0.0 111.076 169.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.21 -27.9 64.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -67.63 -46.5 72.31 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.373 0.988 . . . . 0.0 110.87 169.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.28 -18.44 75.05 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.256 1.408 . . . . 0.0 114.101 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.15 -34.19 77.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.597 1.159 . . . . 0.0 111.71 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -87.24 -33.1 19.41 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.423 1.089 . . . . 0.0 111.708 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 10.21 64.05 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.172 1.368 . . . . 0.0 114.467 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -91.06 -149.11 0.22 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.434 1.494 . . . . 0.0 111.241 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.0 176.22 4.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.987 1.315 . . . . 0.0 112.21 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -72.49 59.91 0.45 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.161 2.184 . . . . 0.0 113.217 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.4 p -133.45 167.15 20.96 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.868 2.067 . . . . 0.0 110.94 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.69 141.34 34.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.475 1.51 . . . . 0.0 111.174 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.2 p -82.82 160.38 22.24 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -59.71 -33.46 71.64 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.406 -1.434 . . . . 0.0 113.297 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -69.34 -34.61 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.13 -39.24 75.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.518 1.053 . . . . 0.0 111.357 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.34 -41.79 94.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.809 1.243 . . . . 0.0 110.87 169.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -61.78 -37.74 85.47 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.238 -1.538 . . . . 0.0 112.37 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.08 -44.46 88.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.23 0.612 . . . . 0.0 111.858 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.29 -49.01 67.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.725 1.21 . . . . 0.0 110.595 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.3 mt -60.72 -47.12 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.088 0.955 . . . . 0.0 111.749 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.92 -20.12 64.22 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.303 1.41 . . . . 0.0 113.197 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -60.32 2.4 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.595 1.158 . . . . 0.0 111.424 169.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -89.82 -17.3 28.4 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -135.7 37.95 2.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.688 2.395 . . . . 0.0 109.626 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.476 0.86 0 C-N-CA 127.701 2.4 . . . . 0.0 113.005 -170.782 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -53.15 -37.41 61.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.716 1.606 . . . . 0.0 112.728 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -27.87 69.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.97 1.308 . . . . 0.0 113.666 173.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.35 -37.5 25.57 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.822 0.849 . . . . 0.0 111.082 170.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.1 mm -62.96 -41.52 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.051 0.94 . . . . 0.0 111.728 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.11 -29.77 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.266 0.939 . . . . 0.0 112.303 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -78.16 -32.84 50.4 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.352 1.433 . . . . 0.0 111.519 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -65.38 -28.46 69.29 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.373 0.988 . . . . 0.0 112.513 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -78.14 -31.56 49.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.954 1.301 . . . . 0.0 112.642 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.58 -33.16 72.33 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.96 1.304 . . . . 0.0 111.941 171.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.28 -51.57 65.57 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.88 1.272 . . . . 0.0 109.689 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.69 -22.89 66.07 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 -59.9 -15.06 18.56 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -70.8 -26.75 63.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.194 0.906 . . . . 0.0 113.202 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -132.98 -150.02 0.4 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.706 2.002 . . . . 0.0 111.745 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.21 -28.28 8.71 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -171.43 -27.63 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.602 1.561 . . . . 0.0 112.927 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.01 141.43 52.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.516 1.127 . . . . 0.0 111.311 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.87 135.75 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.227 1.411 . . . . 0.0 108.801 169.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.16 179.48 5.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.93 0.872 . . . . 0.0 110.645 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -56.29 -40.88 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -40.78 79.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.792 0.724 . . . . 0.0 111.26 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.31 -37.32 86.81 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.964 0.905 . . . . 0.0 112.084 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.08 -44.77 94.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.109 0.413 . . . . 0.0 111.665 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 27.0 mm -71.65 -41.01 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.516 -0.74 . . . . 0.0 110.875 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -61.52 -45.21 95.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.022 1.329 . . . . 0.0 111.312 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -68.82 -37.74 79.4 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.211 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.7 -31.01 72.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.97 1.259 . . . . 0.0 111.899 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.94 71.68 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.198 0.904 . . . . 0.0 113.459 170.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.25 -48.59 12.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.299 1.05 . . . . 0.0 111.344 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 23.7 tp -52.63 -46.29 67.01 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.709 1.204 . . . . 0.0 111.379 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.73 66.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.718 1.207 . . . . 0.0 113.708 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.2 tpt -78.64 -35.82 44.87 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.366 1.066 . . . . 0.0 112.166 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.54 -34.59 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.679 0.672 . . . . 0.0 109.852 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . 0.407 ' HA ' ' CZ ' ' C' ' 200' ' ' TYR . 3.6 m-30 -70.7 40.99 0.06 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 126.654 1.981 . . . . 0.0 113.45 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.55 -25.62 27.1 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 128.089 2.555 . . . . 0.0 116.596 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -66.02 -24.76 66.82 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.674 1.124 . . . . 0.0 112.455 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.08 79.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.912 -1.118 . . . . 0.0 111.637 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.09 -23.81 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.283 1.033 . . . . 0.0 111.994 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 41.7 mttp . . . . . 0 CA--C 1.55 0.945 0 CA-C-N 119.804 1.183 . . . . 0.0 113.903 173.062 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.197 0 N-CA-C 113.967 0.347 . . . . 0.0 113.967 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.72 -32.82 31.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.57 1.948 . . . . 0.0 114.094 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 76.6 mtm -49.97 -32.68 15.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.39 1.476 . . . . 0.0 112.515 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -63.86 -22.81 67.09 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.49 -41.86 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.44 1.896 . . . . 0.0 109.336 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.57 -41.46 97.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.424 1.489 . . . . 0.0 111.408 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.41 -32.72 73.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.587 0.755 . . . . 0.0 112.803 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -66.96 -28.33 68.19 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.192 -0.942 . . . . 0.0 112.544 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 81.7 mt -89.34 -44.09 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.148 1.779 . . . . 0.0 110.278 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 84' ' ' TYR . 4.0 t80 -46.24 -48.37 17.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.783 1.633 . . . . 0.0 113.32 170.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.81 -4.56 24.72 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -109.59 10.04 25.08 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.485 1.914 . . . . 0.0 112.853 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.45 -179.72 44.9 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 126.173 1.844 . . . . 0.0 115.687 -173.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.06 153.3 24.97 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.269 1.428 . . . . 0.0 114.546 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.93 -17.22 53.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.594 1.558 . . . . 0.0 114.65 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.39 -13.1 61.71 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.6 ttm -49.67 -65.3 0.59 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 0.0 111.18 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -58.94 -32.87 69.98 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.442 -0.787 . . . . 0.0 112.811 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.76 -43.34 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.076 0.95 . . . . 0.0 111.704 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 23.0 m -78.86 -37.29 40.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.9 1.28 . . . . 0.0 111.211 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 16.8 mm -55.48 -50.04 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.583 0.753 . . . . 0.0 111.145 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.52 -50.49 72.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.426 0.691 . . . . 0.0 111.317 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -57.54 -52.71 64.31 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.086 -1.009 . . . . 0.0 112.549 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.3 67.59 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 . . . . . 0 CA--C 1.54 0.567 0 C-N-CA 123.636 0.775 . . . . 0.0 111.884 171.502 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.147 0 CA-C-O 119.208 -0.773 . . . . 0.0 114.804 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.47 -32.53 62.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 113.943 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.8 ptp -53.1 -28.36 24.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.894 1.278 . . . . 0.0 113.698 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.47 -20.52 65.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.282 1.033 . . . . 0.0 113.775 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.17 -42.71 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.375 1.47 . . . . 0.0 108.738 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -65.97 -33.06 74.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.147 1.379 . . . . 0.0 112.034 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.54 -32.65 67.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.977 0.911 . . . . 0.0 112.676 171.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -68.09 -16.4 64.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.279 -0.888 . . . . 0.0 113.218 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 37.4 mm -92.96 -45.14 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.077 1.351 . . . . 0.0 110.51 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -51.0 -41.63 59.87 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.906 1.282 . . . . 0.0 113.501 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.72 -3.51 15.69 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.59 -30.01 36.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.997 0.919 . . . . 0.0 112.648 170.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.86 170.85 26.75 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.965 1.745 . . . . 0.0 114.74 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -160.37 146.37 15.27 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.424 1.49 . . . . 0.0 111.753 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . 0.512 ' HA ' ' HE3' ' D' ' 208' ' ' LYS . 32.5 t70 -95.76 -23.7 16.84 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -91.94 -24.04 19.39 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -61.14 2.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.923 1.289 . . . . 0.0 110.722 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' D' ' 205' ' ' ASP . 19.0 pttp -67.04 -24.84 66.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.456 1.502 . . . . 0.0 113.967 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -68.51 -35.23 77.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.881 0.764 . . . . 0.0 111.793 173.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.5 m -67.04 -48.06 69.47 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.238 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.1 mm -52.54 -42.35 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.31 0.644 . . . . 0.0 111.567 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -62.1 -66.03 0.6 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.117 0.567 . . . . 0.0 111.502 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -60.85 -33.5 73.15 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.55 -1.344 . . . . 0.0 113.663 -172.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.35 62.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.2 t90 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 123.935 0.894 . . . . 0.0 112.328 171.765 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -53.32 -29.73 4.88 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -62.13 -38.31 57.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.396 2.064 . . . . 0.0 113.007 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -80.25 -38.93 29.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.717 0.69 . . . . 0.0 111.428 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -61.94 -36.13 80.49 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.591 0.632 . . . . 0.0 112.429 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -76.59 -17.0 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.0 -52.1 7.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.753 1.16 . . . . 0.0 112.509 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.9 pt -64.09 -32.7 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 120.892 -1.13 . . . . 0.0 111.338 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.89 -22.58 73.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.612 1.101 . . . . 0.0 113.671 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -48.01 66.9 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.94 1.37 . . . . 0.0 109.549 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.84 -41.77 92.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.2 1.0 . . . . 0.0 110.897 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.98 -51.05 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.778 0.717 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.72 -29.02 72.71 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 124.368 0.985 . . . . 0.0 113.037 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.6 mt -68.39 -58.67 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 169.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.78 -49.6 77.1 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.991 1.316 . . . . 0.0 113.815 -170.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -69.71 -20.33 63.54 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.48 -36.28 83.42 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.771 -1.206 . . . . 0.0 111.585 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 97.6 m-85 -81.18 -26.65 35.83 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.444 1.097 . . . . 0.0 113.298 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -56.34 -30.26 62.4 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.51 11.53 54.08 Favored Glycine 0 N--CA 1.471 1.013 0 C-N-CA 125.168 1.366 . . . . 0.0 114.966 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HZ1' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 119.403 1.602 . . . . 0.0 111.355 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.7 mttp . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.415 0.626 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -74.15 60.92 0.82 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 125.488 1.515 . . . . 0.0 113.536 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -160.55 148.88 16.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.347 2.259 . . . . 0.0 110.258 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mp -118.29 149.05 41.8 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.802 1.241 . . . . 0.0 110.732 -175.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -77.57 169.83 17.62 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.009 -1.057 . . . . 0.0 111.324 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -53.69 -53.44 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.701 -1.249 . . . . 0.0 112.011 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.95 -41.31 97.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.404 1.082 . . . . 0.0 112.111 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.38 -35.13 78.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.386 1.074 . . . . 0.0 111.947 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.75 -43.09 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.606 1.162 . . . . 0.0 111.077 169.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -56.53 -38.4 71.8 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.923 -1.111 . . . . 0.0 110.811 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' CD ' ' HZ1' ' A' ' 22' ' ' LYS . 7.9 tt0 -66.38 -43.07 86.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.331 1.053 . . . . 0.0 112.077 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 7.4 tt -52.29 -47.93 65.61 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.516 1.053 . . . . 0.0 110.384 169.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.94 -47.31 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.206 0.912 . . . . 0.0 111.292 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -64.93 -39.66 93.86 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.988 0.813 . . . . 0.0 113.018 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -87.01 -35.75 18.61 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -87.31 -49.02 7.53 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.281 0.946 . . . . 0.0 112.786 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.9 mt -87.94 77.47 8.47 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.513 1.149 . . . . 0.0 108.834 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p . . . . . 0 N--CA 1.479 0.99 0 C-N-CA 128.015 2.526 . . . . 0.0 113.798 -174.14 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -52.15 -42.62 63.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.633 1.56 . . . . 0.0 113.668 -172.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.48 69.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.445 1.098 . . . . 0.0 112.936 175.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -81.19 -33.4 33.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.901 1.28 . . . . 0.0 111.305 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.8 mm -63.91 -45.13 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.053 -1.029 . . . . 0.0 111.524 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.25 -22.24 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.846 0.748 . . . . 0.0 112.537 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -79.05 -38.85 35.41 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 112.194 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.15 -37.44 87.46 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.53 1.132 . . . . 0.0 111.679 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.0 ttp -57.49 -41.16 80.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.913 1.285 . . . . 0.0 111.815 169.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.35 -36.76 68.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.76 0.824 . . . . 0.0 112.863 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -64.66 -31.6 72.89 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.17 0.896 . . . . 0.0 112.544 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.43 -44.6 71.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -69.18 -20.54 64.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.93 1.292 . . . . 0.0 114.392 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -48.04 -32.4 6.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.159 1.384 . . . . 0.0 112.965 171.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -78.59 -4.48 49.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.39 1.476 . . . . 0.0 113.728 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -149.51 -130.35 0.05 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.012 1.325 . . . . 0.0 111.585 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.95 -53.39 0.09 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.06 . . . . 0.0 113.625 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -105.32 -42.92 5.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.291 1.036 . . . . 0.0 111.915 -176.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.34 157.94 44.25 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.212 1.805 . . . . 0.0 112.016 -169.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.22 102.43 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.036 2.135 . . . . 0.0 108.812 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.11 155.41 27.52 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.87 1.268 . . . . 0.0 112.452 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -51.34 -39.13 56.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.805 1.642 . . . . 0.0 114.602 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.61 -47.39 85.66 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.081 0.552 . . . . 0.0 110.866 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.06 -35.46 66.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.154 0.582 . . . . 0.0 111.161 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.44 -48.64 76.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.889 1.275 . . . . 0.0 111.815 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -74.06 -37.37 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.367 0.985 . . . . 0.0 112.075 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.8 m -54.22 -44.77 71.98 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.233 1.013 . . . . 0.0 111.041 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -70.94 -40.19 72.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.655 1.182 . . . . 0.0 113.115 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.22 -19.26 61.44 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.854 0.752 . . . . 0.0 112.581 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.17 -38.38 95.86 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.688 1.131 . . . . 0.0 112.5 169.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.53 65.3 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.135 0.967 . . . . 0.0 111.967 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.5 -18.73 64.45 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.57 -46.73 15.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 168.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.0 ttp -65.72 -26.93 67.97 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 tp -58.02 -31.41 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.721 0.808 . . . . 0.0 113.016 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -74.13 48.35 0.31 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.654 1.581 . . . . 0.0 112.332 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -50.33 -19.77 0.91 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.06 2.944 . . . . 0.0 116.735 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.65 -41.24 85.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.648 1.567 . . . . 0.0 111.568 170.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 -16.02 63.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.53 1.132 . . . . 0.0 113.428 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.93 7.81 45.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.502 1.921 . . . . 0.0 111.481 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -121.55 -45.0 2.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.395 1.478 . . . . 0.0 111.984 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.675 -1.625 . . . . 0.0 113.233 176.706 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mmm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.78 68.03 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -63.02 -39.64 54.3 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -173.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -57.88 -39.21 88.6 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.622 2.881 . . . . 0.0 114.141 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.42 -43.25 50.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.402 1.001 . . . . 0.0 111.252 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.25 -38.4 79.97 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.775 1.23 . . . . 0.0 112.817 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.94 -27.26 60.93 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.79 -48.39 25.68 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.764 1.165 . . . . 0.0 112.059 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.1 pt -64.03 -29.54 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.053 -1.029 . . . . 0.0 111.696 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.43 -27.17 73.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.309 0.956 . . . . 0.0 113.481 172.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -48.43 73.0 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.851 1.326 . . . . 0.0 110.153 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.55 -40.57 87.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.027 0.931 . . . . 0.0 111.796 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -64.4 -45.48 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.063 0.847 . . . . 0.0 110.808 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -30.84 74.54 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.358 0.98 . . . . 0.0 113.318 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -76.45 -44.04 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.159 0.984 . . . . 0.0 112.206 171.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -73.76 -54.08 8.86 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.764 0.826 . . . . 0.0 112.838 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -73.17 -21.01 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -66.21 -29.21 69.43 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.14 -0.975 . . . . 0.0 112.772 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -81.15 -30.5 34.43 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 169.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.7 m -64.47 -49.65 70.59 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.701 -1.25 . . . . 0.0 111.595 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.89 -15.59 69.39 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.032 1.301 . . . . 0.0 114.423 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -64.17 -33.32 75.53 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.296 1.048 . . . . 0.0 111.601 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -100.46 -21.5 15.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.461 1.504 . . . . 0.0 113.044 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.55 18.9 31.38 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.581 1.563 . . . . 0.0 114.021 -176.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -74.69 144.54 43.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.336 1.054 . . . . 0.0 112.885 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -77.52 -48.11 17.87 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -149.15 24.95 0.91 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.773 1.229 . . . . 0.0 113.889 -171.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -147.1 161.03 41.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.888 0.875 . . . . 0.0 113.028 -169.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt -131.47 148.61 52.66 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.91 2.084 . . . . 0.0 109.539 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.3 p -78.99 161.2 26.8 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.678 -0.639 . . . . 0.0 109.455 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -56.27 -30.28 62.24 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.861 -1.15 . . . . 0.0 113.202 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.32 -39.42 32.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 112.779 173.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.54 -36.21 82.13 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.473 1.033 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.14 -46.17 90.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.367 1.067 . . . . 0.0 109.999 169.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -58.81 -39.88 82.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.285 -0.885 . . . . 0.0 111.968 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -66.18 -41.23 90.54 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.104 0.865 . . . . 0.0 112.464 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tt -54.29 -51.9 63.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.151 0.98 . . . . 0.0 110.594 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.14 -42.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.879 -0.581 . . . . 0.0 111.757 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.32 -32.0 72.7 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.194 0.907 . . . . 0.0 113.005 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -49.99 7.51 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.573 1.079 . . . . 0.0 113.035 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -85.34 -33.0 22.15 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.986 0.914 . . . . 0.0 113.103 -169.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.8 49.94 0.95 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.92 1.688 . . . . 0.0 108.636 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 123.635 0.774 . . . . 0.0 111.29 -177.019 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 119.296 -0.383 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.12 -53.59 7.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.583 1.953 . . . . 0.0 114.355 -168.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.91 66.52 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.812 0.845 . . . . 0.0 113.088 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.09 -43.26 19.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.525 0.73 . . . . 0.0 110.808 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.63 -36.48 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.83 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.7 m -66.72 -29.67 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.197 1.362 . . . . 0.0 113.038 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -81.06 -34.18 32.92 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.265 0.939 . . . . 0.0 112.891 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.29 -41.8 89.27 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.593 -1.317 . . . . 0.0 112.351 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -27.99 66.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.209 0.913 . . . . 0.0 111.855 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.91 -26.07 63.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.069 1.347 . . . . 0.0 112.895 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.67 -27.36 37.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.437 1.095 . . . . 0.0 113.386 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.38 -42.3 36.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.771 1.228 . . . . 0.0 111.693 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.91 -31.82 66.76 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.227 1.411 . . . . 0.0 114.238 -176.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -63.92 -9.49 15.72 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -68.9 -22.2 64.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.896 0.879 . . . . 0.0 112.338 169.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -136.32 -129.4 0.14 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.637 2.375 . . . . 0.0 109.528 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -150.4 6.8 0.57 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -170.66 -32.93 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.372 1.469 . . . . 0.0 112.667 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -134.29 164.28 27.74 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.177 1.391 . . . . 0.0 111.665 -171.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.72 123.97 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.448 1.499 . . . . 0.0 109.797 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -81.96 164.24 21.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.183 0.993 . . . . 0.0 111.808 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -60.79 -43.14 98.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -172.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.8 -33.66 75.24 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.206 -0.934 . . . . 0.0 111.799 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.3 -39.27 82.09 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.194 0.907 . . . . 0.0 111.399 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -61.65 -43.91 97.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.917 1.287 . . . . 0.0 111.609 172.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.08 -35.44 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.001 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 92.1 m -59.23 -43.58 92.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.387 1.075 . . . . 0.0 110.789 172.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.18 -42.74 99.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.275 172.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.86 -28.75 70.06 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.836 1.198 . . . . 0.0 112.319 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.74 95.23 Favored Glycine 0 N--CA 1.468 0.826 0 C-N-CA 124.544 1.069 . . . . 0.0 112.141 169.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.66 85.18 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 117.976 0.888 . . . . 0.0 112.819 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.47 -47.7 81.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.598 1.159 . . . . 0.0 110.801 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -31.37 72.08 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.784 1.234 . . . . 0.0 113.145 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 53.6 tpp -68.51 -40.97 80.63 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.143 0.977 . . . . 0.0 112.072 173.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.01 -34.02 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.716 0.807 . . . . 0.0 110.967 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -72.54 47.59 0.17 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.938 1.351 . . . . 0.0 112.005 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.02 -25.21 63.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.087 2.155 . . . . 0.0 115.363 -169.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.12 -42.98 79.4 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.31 0.959 . . . . 0.0 111.115 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.0 86.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.034 -1.041 . . . . 0.0 111.118 173.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.03 -2.19 17.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.96 1.704 . . . . 0.0 114.0 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 125.025 1.33 . . . . 0.0 113.761 174.705 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 CA-C-O 120.803 0.113 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.26 -47.6 85.29 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.275 0.63 . . . . 0.0 112.213 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -58.97 -17.59 26.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.356 1.462 . . . . 0.0 114.326 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -86.53 -16.04 38.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 79.8 t -95.33 -40.57 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.425 1.49 . . . . 0.0 108.373 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.19 -30.98 62.48 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.713 1.605 . . . . 0.0 112.008 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -61.54 -26.71 68.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.79 1.177 . . . . 0.0 113.467 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -65.53 -25.94 67.67 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.302 -0.874 . . . . 0.0 111.954 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 28.3 mt -92.12 -36.11 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.488 1.515 . . . . 0.0 110.411 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -54.98 -41.83 71.68 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.043 -1.036 . . . . 0.0 112.766 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -70.69 -9.67 57.66 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -111.21 13.85 21.76 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.548 2.339 . . . . 0.0 112.528 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.81 147.06 37.67 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.73 1.633 . . . . 0.0 115.718 -169.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -78.18 143.02 37.56 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.293 1.437 . . . . 0.0 114.326 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.74 -29.34 51.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.741 1.216 . . . . 0.0 114.084 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -73.21 -19.4 61.1 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.014 0.825 . . . . 0.0 112.95 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.3 -38.52 87.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.846 0.748 . . . . 0.0 111.436 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.72 -30.05 71.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.847 0.859 . . . . 0.0 113.025 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -77.97 -35.43 50.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.328 0.651 . . . . 0.0 112.517 170.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 86.6 m -61.81 -53.91 49.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.827 1.651 . . . . 0.0 111.638 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.05 -29.15 42.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -75.65 -54.96 6.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.192 0.997 . . . . 0.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.31 -41.25 96.67 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.634 -1.291 . . . . 0.0 112.066 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.15 68.35 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 . . . . . 0 CA--C 1.541 0.597 0 CA-C-N 118.735 0.698 . . . . 0.0 110.997 170.249 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.988 0 N-CA-C 112.649 -0.18 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.29 -32.95 73.75 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.394 1.078 . . . . 0.0 113.657 -174.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -54.09 -29.76 45.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.702 1.201 . . . . 0.0 113.824 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -67.51 -17.18 64.57 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.17 -35.69 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.437 1.495 . . . . 0.0 109.794 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.25 -31.9 73.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.44 1.096 . . . . 0.0 111.238 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -52.35 -32.95 40.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.973 1.309 . . . . 0.0 112.607 170.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -71.18 -15.15 62.46 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.894 -1.129 . . . . 0.0 113.146 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.82 -43.5 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.495 1.518 . . . . 0.0 110.789 170.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.36 -43.83 68.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.702 0.801 . . . . 0.0 113.005 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.24 -0.64 15.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.637 1.575 . . . . 0.0 113.844 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.57 -23.36 53.53 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.981 0.912 . . . . 0.0 112.051 169.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.25 15.85 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.494 1.997 . . . . 0.0 113.432 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.49 159.21 21.81 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.336 1.854 . . . . 0.0 110.725 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -155.79 -50.41 0.08 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.34 -28.64 63.18 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.887 0.767 . . . . 0.0 112.64 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 17.7 mmt -48.56 -50.07 33.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.707 1.203 . . . . 0.0 111.054 169.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.53 -20.4 66.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.252 1.021 . . . . 0.0 112.934 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -88.25 -42.15 12.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.713 0.805 . . . . 0.0 111.919 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.1 m -70.5 -48.27 56.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 111.879 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.63 -44.32 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.864 0.466 . . . . 0.0 110.236 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -55.07 -60.83 2.84 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.863 0.465 . . . . 0.0 111.546 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -61.37 -37.13 82.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.995 -1.066 . . . . 0.0 113.017 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.45 84.1 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.9 m95 . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 123.066 0.546 . . . . 0.0 111.729 175.723 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -40.86 -49.88 7.54 Favored Pre-proline 0 N--CA 1.478 0.972 0 N-CA-C 117.352 2.352 . . . . 0.0 117.352 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.22 -28.87 33.4 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.116 1.877 . . . . 0.0 113.527 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -82.21 -39.47 23.07 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.168 0.894 . . . . 0.0 112.096 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.68 -36.57 79.07 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.827 1.651 . . . . 0.0 112.555 -176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -67.21 -30.8 70.83 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 170.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.98 -47.15 14.03 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.455 1.025 . . . . 0.0 112.262 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -62.84 -29.12 46.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.763 0.711 . . . . 0.0 111.343 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -25.47 73.88 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-O 118.283 -1.287 . . . . 0.0 114.146 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -49.25 55.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.704 1.752 . . . . 0.0 109.802 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.68 -41.97 82.66 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.656 1.182 . . . . 0.0 111.998 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.89 -38.67 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.761 0.71 . . . . 0.0 111.15 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.31 -47.95 88.07 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.434 1.016 . . . . 0.0 112.102 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.93 -36.73 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.376 1.088 . . . . 0.0 111.717 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.31 -59.8 3.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.949 0.9 . . . . 0.0 111.788 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -23.44 61.6 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -170.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -53.62 -42.86 68.19 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.025 1.33 . . . . 0.0 111.047 169.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.5 -38.79 25.74 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 117.791 -1.1 . . . . 0.0 113.716 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.3 m -58.82 -29.33 66.82 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.662 1.573 . . . . 0.0 113.769 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.82 60.6 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.848 -0.973 . . . . 0.0 114.89 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.469 0.52 0 CA-C-N 119.358 1.579 . . . . 0.0 111.863 171.097 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 20.04 0.06 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -141.47 143.25 33.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.039 1.735 . . . . 0.0 111.55 -172.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 mt -104.75 137.72 42.13 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 0.0 109.465 169.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.2 m -78.48 157.82 28.8 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.21 -0.931 . . . . 0.0 111.045 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -58.24 -36.17 72.8 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.049 -1.657 . . . . 0.0 114.863 -169.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -78.3 -30.75 48.55 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -67.01 -41.95 85.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.094 1.758 . . . . 0.0 109.989 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.67 -45.77 88.66 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.729 2.012 . . . . 0.0 110.104 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.13 -43.11 99.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.774 -1.203 . . . . 0.0 111.781 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -62.12 -36.5 81.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.418 0.687 . . . . 0.0 112.327 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.57 -50.46 73.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.686 0.794 . . . . 0.0 110.111 169.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.33 -41.26 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 118.02 -0.991 . . . . 0.0 111.631 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -59.51 -32.54 70.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.293 1.406 . . . . 0.0 112.958 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -84.76 -39.18 18.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.621 0.768 . . . . 0.0 112.585 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.38 -67.14 0.46 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.924 0.89 . . . . 0.0 110.341 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -94.54 76.43 3.81 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.865 1.266 . . . . 0.0 110.146 -171.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 169.274 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -56.28 -42.91 78.27 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.168 1.349 . . . . 0.0 113.559 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.17 68.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 113.429 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -81.02 -38.7 27.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.403 0.681 . . . . 0.0 111.118 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -67.21 -37.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.226 0.921 . . . . 0.0 112.103 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.81 -29.44 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.639 1.109 . . . . 0.0 112.024 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.46 -33.08 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 170.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -46.85 88.28 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.788 -1.195 . . . . 0.0 111.341 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -64.95 -28.87 69.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.5 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.87 -31.1 70.68 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.504 1.047 . . . . 0.0 112.64 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.19 -19.4 47.14 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 170.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.34 -40.82 25.93 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.379 1.071 . . . . 0.0 110.778 169.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.68 -6.69 33.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.115 2.166 . . . . 0.0 112.919 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -58.74 -22.17 57.05 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.815 1.246 . . . . 0.0 112.554 172.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -81.88 -30.61 31.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.59 1.556 . . . . 0.0 113.129 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -171.35 129.67 0.71 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.269 2.628 . . . . 0.0 110.334 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.42 -17.48 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 -168.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -108.16 -22.61 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -161.23 160.21 29.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.291 1.037 . . . . 0.0 112.28 -169.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.9 114.65 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.398 1.479 . . . . 0.0 109.656 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -77.83 149.61 34.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -53.05 -40.42 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -175.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -61.82 -40.73 96.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.257 -0.902 . . . . 0.0 111.323 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -74.35 -31.98 62.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.509 1.124 . . . . 0.0 111.854 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.58 -45.12 94.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.795 1.238 . . . . 0.0 111.163 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mm -64.71 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.35 -0.844 . . . . 0.0 110.95 173.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -59.5 -44.47 93.09 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.399 1.08 . . . . 0.0 110.971 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -62.97 -40.63 98.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.601 0.76 . . . . 0.0 112.202 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.88 -27.62 68.35 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.423 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.39 93.25 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.005 0.812 . . . . 0.0 112.57 170.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.51 -45.23 76.41 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 117.821 0.81 . . . . 0.0 111.517 170.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.44 -44.31 80.33 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.757 1.223 . . . . 0.0 111.601 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.87 78.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.137 1.375 . . . . 0.0 113.093 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.46 -33.38 58.73 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.522 0.729 . . . . 0.0 112.619 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -35.88 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.493 -0.755 . . . . 0.0 110.564 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -72.26 52.63 0.27 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.819 1.248 . . . . 0.0 111.339 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -52.44 -28.0 18.3 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.86 -35.8 58.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.946 1.248 . . . . 0.0 112.694 170.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -22.17 66.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.796 1.238 . . . . 0.0 113.107 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -100.71 12.47 37.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.286 1.834 . . . . 0.0 112.062 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -127.21 -42.87 1.67 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.113 1.365 . . . . 0.0 112.924 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 C-N-CA 126.695 2.093 . . . . 0.0 112.074 177.327 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 110.804 -0.073 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.58 -26.54 55.17 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -169.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -48.49 -40.9 42.96 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -169.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.14 -42.58 34.87 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.492 2.128 . . . . 0.0 113.184 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.4 tp -80.25 -39.2 29.42 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.348 0.522 . . . . 0.0 111.658 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -33.99 77.29 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.553 1.141 . . . . 0.0 112.23 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.99 -24.95 58.5 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.774 0.716 . . . . 0.0 112.419 171.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.86 30.68 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.902 1.228 . . . . 0.0 111.93 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.5 pt -64.89 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.418 1.008 . . . . 0.0 110.064 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -22.77 66.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.49 1.519 . . . . 0.0 114.004 170.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -51.19 18.63 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.155 1.477 . . . . 0.0 109.647 172.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.34 -43.91 83.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.954 0.901 . . . . 0.0 111.01 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.41 -42.57 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 118.249 0.477 . . . . 0.0 111.097 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -38.35 94.2 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.005 0.821 . . . . 0.0 112.834 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 33.0 mt -67.0 -36.04 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.241 1.017 . . . . 0.0 111.744 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.97 -51.66 13.1 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.955 0.902 . . . . 0.0 112.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -25.38 60.76 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -169.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -64.57 -33.15 75.24 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.862 -0.524 . . . . 0.0 112.276 171.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -82.52 -41.99 18.97 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.7 p -66.49 -11.48 52.54 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 -3.26 78.86 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.301 0.953 . . . . 0.0 114.972 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -74.75 -52.52 11.31 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.222 1.511 . . . . 0.0 112.691 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -124.78 -40.57 2.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.215 1.406 . . . . 0.0 111.7 -169.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -153.2 26.33 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.504 1.526 . . . . 0.0 113.564 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -165.24 164.52 20.02 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.38 1.872 . . . . 0.0 111.832 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 83.3 tttt 57.92 -101.64 0.13 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.803 1.641 . . . . 0.0 112.528 175.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.418 ' CD2' HD22 ' B' ' 69' ' ' ASN . 0.3 OUTLIER -133.1 25.47 4.23 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.793 1.637 . . . . 0.0 114.441 -169.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.4 p -127.89 151.53 48.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.609 1.164 . . . . 0.0 112.402 176.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.49 137.59 49.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.339 1.856 . . . . 0.0 109.87 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -78.41 166.13 22.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.349 -0.844 . . . . 0.0 111.058 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.93 -51.65 68.77 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.048 -1.658 . . . . 0.0 113.682 -170.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -72.77 -30.11 63.85 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.575 -0.703 . . . . 0.0 112.155 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.28 -42.41 93.2 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.289 1.436 . . . . 0.0 110.909 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.02 -46.15 85.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.39 1.076 . . . . 0.0 111.175 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.39 -37.8 76.03 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.28 -0.888 . . . . 0.0 111.797 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -66.47 -41.6 88.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.239 1.016 . . . . 0.0 111.696 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -55.57 -55.81 27.66 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.292 1.037 . . . . 0.0 110.109 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.06 -40.45 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.808 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -76.01 -12.68 60.18 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.817 1.644 . . . . 0.0 114.047 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.12 -41.55 15.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.607 1.094 . . . . 0.0 112.216 169.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.36 -56.15 4.54 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.139 0.427 . . . . 0.0 111.219 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.83 74.41 5.71 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.364 1.466 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 126.179 1.791 . . . . 0.0 110.329 174.504 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -54.82 -39.42 68.5 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.672 1.124 . . . . 0.0 112.658 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.08 69.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.626 1.17 . . . . 0.0 112.877 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.31 -37.43 28.39 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.742 1.217 . . . . 0.0 111.078 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.81 -43.94 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.877 0.871 . . . . 0.0 111.731 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.83 -27.29 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.664 1.12 . . . . 0.0 112.435 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -72.1 -40.23 68.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.079 0.854 . . . . 0.0 111.951 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.65 -39.73 94.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.279 0.632 . . . . 0.0 111.435 174.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.54 -41.47 80.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.852 0.861 . . . . 0.0 110.583 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 -28.56 69.98 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -77.4 -25.84 51.18 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.624 1.102 . . . . 0.0 112.92 173.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -80.59 -39.87 26.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.868 1.667 . . . . 0.0 111.69 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.36 -7.26 29.69 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.257 2.223 . . . . 0.0 113.336 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -53.83 -21.94 8.61 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 169.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -61.81 -43.99 97.74 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -166.36 149.33 7.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.857 1.663 . . . . 0.0 111.561 -171.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -55.02 -24.97 27.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.9 2.08 . . . . 0.0 116.112 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -120.36 -19.53 7.58 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -170.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -160.74 155.86 24.45 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.434 1.015 . . . . 0.0 113.119 -169.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 65.1 t -99.75 119.8 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.701 2.0 . . . . 0.0 109.022 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.418 HD22 ' CD2' ' B' ' 27' ' ' HIS . 28.0 t-20 -81.26 149.21 29.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -49.34 -44.89 44.89 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.986 1.714 . . . . 0.0 114.378 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.83 -35.29 78.34 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.41 -38.31 77.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.941 0.496 . . . . 0.0 111.455 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.16 -43.69 95.58 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.306 -0.871 . . . . 0.0 111.894 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.47 -47.79 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.225 -0.922 . . . . 0.0 111.03 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -59.69 -44.16 93.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.438 1.095 . . . . 0.0 111.551 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -65.93 -40.22 91.2 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.836 1.255 . . . . 0.0 111.746 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.14 -26.54 68.58 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 112.178 171.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.56 94.57 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-N 118.939 0.79 . . . . 0.0 112.092 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.36 87.45 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.051 0.925 . . . . 0.0 111.815 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -57.19 -46.97 82.37 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.602 1.161 . . . . 0.0 110.712 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.95 89.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.555 1.542 . . . . 0.0 111.874 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -69.48 -29.66 67.36 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.34 -0.85 . . . . 0.0 113.175 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.31 -25.74 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.883 1.273 . . . . 0.0 113.729 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -56.24 -38.64 71.36 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.301 0.955 . . . . 0.0 110.677 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.05 -46.43 0.28 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.849 3.259 . . . . 0.0 116.272 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -58.71 -37.7 76.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.933 1.293 . . . . 0.0 111.047 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.55 -19.18 64.58 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.03 6.71 41.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.304 1.842 . . . . 0.0 112.539 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt . . . . . 0 N--CA 1.477 0.875 0 C-N-CA 125.208 1.403 . . . . 0.0 113.201 176.413 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.185 0 N-CA-C 115.599 1.0 . . . . 0.0 115.599 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.23 -65.75 0.51 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.389 1.875 . . . . 0.0 111.453 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -28.53 13.49 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.242 1.817 . . . . 0.0 114.106 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -74.64 -14.43 60.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.61 -35.92 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.85 1.26 . . . . 0.0 109.328 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.37 -36.43 79.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.775 2.03 . . . . 0.0 111.624 172.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -52.22 -39.42 60.2 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.375 1.07 . . . . 0.0 111.771 173.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -58.02 -24.99 60.53 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -84.3 -36.62 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.998 1.319 . . . . 0.0 111.753 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -67.35 -35.95 80.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.103 -0.998 . . . . 0.0 111.232 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.0 -1.15 11.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 113.998 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -106.6 -32.3 8.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.719 1.208 . . . . 0.0 113.732 173.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -157.89 149.24 19.58 Favored Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.908 1.123 . . . . 0.0 115.908 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.99 103.81 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 129.067 2.947 . . . . 0.0 108.179 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -149.32 -47.13 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -89.17 -32.78 17.3 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.421 1.01 . . . . 0.0 112.887 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.5 ttm -51.1 -54.82 21.49 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.152 0.581 . . . . 0.0 110.79 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -58.94 -27.24 65.13 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.65 -42.3 51.74 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.101 0.864 . . . . 0.0 111.283 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 17.9 m -65.35 -38.1 89.07 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.198 0.999 . . . . 0.0 112.568 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 18.1 mm -59.27 -45.76 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.331 0.968 . . . . 0.0 110.947 173.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -61.89 -45.87 91.84 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.073 -0.392 . . . . 0.0 111.709 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.44 -44.39 89.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.096 0.862 . . . . 0.0 112.83 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.72 -34.41 78.26 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 . . . . . 0 CA--C 1.54 0.577 0 CA-C-N 118.164 0.438 . . . . 0.0 112.079 178.092 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 N-CA-C 115.447 0.939 . . . . 0.0 115.447 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -67.24 0.46 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.144 1.472 . . . . 0.0 111.246 -173.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -25.64 20.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.681 1.193 . . . . 0.0 113.57 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -65.72 -19.38 65.88 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 90.9 t -99.26 -36.86 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.043 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.43 -31.32 57.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.887 1.675 . . . . 0.0 111.87 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -63.49 -26.03 68.53 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.686 -1.259 . . . . 0.0 113.036 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -56.75 -30.87 64.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.576 1.151 . . . . 0.0 111.953 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 54.1 mt -87.11 -42.66 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.082 1.753 . . . . 0.0 110.161 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.89 -38.23 72.51 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.31 -0.869 . . . . 0.0 112.907 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -73.7 -3.11 26.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.151 1.38 . . . . 0.0 114.053 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -104.94 -42.58 5.3 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.609 1.564 . . . . 0.0 110.822 169.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.82 -166.27 54.84 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.761 1.648 . . . . 0.0 115.718 169.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.23 147.46 20.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.896 1.678 . . . . 0.0 111.577 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.59 -33.32 25.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.79 -21.38 20.71 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 49.2 tpp -45.53 -60.86 1.95 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.56 1.544 . . . . 0.0 110.824 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -60.79 -34.41 74.46 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.783 1.233 . . . . 0.0 112.823 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -74.06 -45.29 50.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.51 0.724 . . . . 0.0 111.737 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.6 m -72.38 -35.26 68.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.73 0.812 . . . . 0.0 112.581 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.5 mt -58.13 -44.27 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.439 0.696 . . . . 0.0 110.531 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.49 -47.64 72.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.452 0.701 . . . . 0.0 112.138 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.761 -1.212 . . . . 0.0 112.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.63 -31.35 71.44 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.5 t90 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 123.955 0.902 . . . . 0.0 110.983 172.683 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -55.65 -36.87 50.67 Favored Pre-proline 0 CA--C 1.552 1.03 0 O-C-N 119.868 -1.77 . . . . 0.0 114.42 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -70.38 -32.41 16.04 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.246 2.63 . . . . 0.0 113.204 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.2 -42.81 59.21 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -54.22 -43.64 70.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.396 1.479 . . . . 0.0 112.067 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.88 -16.57 60.03 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -50.41 9.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.558 1.072 . . . . 0.0 112.546 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 pt -61.85 -32.86 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.371 0.987 . . . . 0.0 111.083 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.53 76.21 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.861 1.22 . . . . 0.0 114.078 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -48.76 51.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.158 1.479 . . . . 0.0 110.045 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.36 -40.63 91.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.533 0.733 . . . . 0.0 111.241 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -68.04 -43.49 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.178 0.899 . . . . 0.0 110.907 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.42 -35.04 91.46 Favored Glycine 0 N--CA 1.468 0.776 0 C-N-CA 124.392 0.996 . . . . 0.0 113.15 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.13 -52.07 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.462 1.105 . . . . 0.0 110.835 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.58 -45.27 87.71 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -69.42 -22.96 63.64 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -53.95 -45.94 71.45 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.168 -0.958 . . . . 0.0 110.967 169.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.7 -31.76 28.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.734 1.613 . . . . 0.0 114.112 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -79.35 -42.4 25.71 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.98 -1.075 . . . . 0.0 111.92 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.78 -14.46 58.3 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.92 1.248 . . . . 0.0 114.14 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 124.923 1.289 . . . . 0.0 111.495 169.632 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CE1' HD22 ' A' ' 69' ' ' ASN . 3.0 p-80 -76.05 55.66 0.94 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.066 1.747 . . . . 0.0 113.526 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 t -146.52 154.44 41.55 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.4 1.48 . . . . 0.0 111.983 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.2 mt -123.18 147.91 46.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.27 1.828 . . . . 0.0 110.205 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 p -79.35 165.38 23.19 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 109.187 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -56.26 -41.57 76.03 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.38 -1.45 . . . . 0.0 112.617 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.74 -36.69 73.28 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.137 -0.977 . . . . 0.0 112.467 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.83 -35.17 76.65 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.876 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.37 -44.78 96.58 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.63 0.772 . . . . 0.0 110.485 169.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.04 -37.98 81.4 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.008 -1.058 . . . . 0.0 111.86 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.52 -42.95 99.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.941 0.896 . . . . 0.0 112.099 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.69 -55.03 40.14 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.126 0.97 . . . . 0.0 111.082 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.31 -43.92 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.031 0.832 . . . . 0.0 111.934 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -67.26 -26.57 66.63 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.79 -55.78 3.56 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.84 -15.1 35.35 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.094 1.758 . . . . 0.0 115.0 -168.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.91 46.98 2.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.063 1.345 . . . . 0.0 110.075 -175.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 125.813 1.645 . . . . 0.0 111.693 -177.229 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 119.168 -0.444 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.19 -41.26 60.11 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.955 1.252 . . . . 0.0 114.178 -169.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.87 69.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.949 0.899 . . . . 0.0 113.39 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -81.54 -33.83 31.5 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.434 1.094 . . . . 0.0 111.671 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.39 -41.74 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.306 -0.871 . . . . 0.0 111.034 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.71 -25.05 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.074 1.307 . . . . 0.0 112.896 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -76.87 -36.53 56.7 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.105 -0.997 . . . . 0.0 112.52 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.05 -41.27 95.33 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.548 1.139 . . . . 0.0 111.441 170.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 ttp -58.6 -43.59 89.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.651 1.181 . . . . 0.0 110.933 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.56 -35.07 79.8 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.081 0.952 . . . . 0.0 113.02 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.81 -24.07 60.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.52 -46.92 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.334 1.454 . . . . 0.0 110.572 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.01 -17.32 63.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.021 2.128 . . . . 0.0 114.301 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.33 -14.73 3.12 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.395 1.078 . . . . 0.0 113.572 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.91 -35.37 45.25 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.697 1.599 . . . . 0.0 113.59 169.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -147.44 -22.74 0.38 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 79.37 18.68 0.77 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.859 2.463 . . . . 0.0 111.794 -170.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -158.1 -33.44 0.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.301 1.841 . . . . 0.0 112.522 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -142.29 155.1 45.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.005 1.322 . . . . 0.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -120.06 121.39 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.31 1.844 . . . . 0.0 110.453 170.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.495 HD22 ' CE1' ' A' ' 27' ' ' HIS . 26.9 t-20 -79.78 154.69 28.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.375 1.07 . . . . 0.0 112.175 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -47.52 -41.92 22.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.065 1.346 . . . . 0.0 114.606 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -59.61 -45.68 91.19 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.47 -0.769 . . . . 0.0 111.539 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -73.65 -29.73 62.51 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.283 0.633 . . . . 0.0 112.211 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -62.35 -46.5 88.41 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.283 -0.886 . . . . 0.0 111.95 171.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.64 -43.17 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.016 0.825 . . . . 0.0 110.826 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.0 m -60.12 -44.81 94.62 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.442 1.097 . . . . 0.0 111.188 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -62.83 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.089 0.956 . . . . 0.0 112.326 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.29 -25.64 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.021 0.828 . . . . 0.0 111.969 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.18 -42.3 84.13 Favored Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.05 0.833 . . . . 0.0 112.496 169.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.16 -33.55 75.66 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.315 0.646 . . . . 0.0 112.538 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -69.98 -40.53 75.31 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.121 0.968 . . . . 0.0 111.213 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.5 81.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.673 -0.642 . . . . 0.0 111.255 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.7 ttt -69.56 -37.07 76.86 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.974 0.91 . . . . 0.0 113.161 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -63.64 -30.68 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.05 1.295 . . . . 0.0 112.148 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -74.4 50.39 0.41 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.613 1.165 . . . . 0.0 111.51 169.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -49.42 -29.4 6.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.461 2.305 . . . . 0.0 115.282 -171.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -53.28 -36.92 61.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 113.011 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.64 -20.76 64.48 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.485 1.114 . . . . 0.0 113.546 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.11 1.95 50.6 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.677 1.991 . . . . 0.0 111.613 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -115.5 -47.5 2.82 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.72 1.608 . . . . 0.0 112.138 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.789 2.138 . . . . 0.0 111.683 178.892 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 119.159 -0.448 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.31 40.04 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 p -57.17 -32.72 14.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.79 -36.99 81.66 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.806 2.337 . . . . 0.0 113.389 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 30.4 tp -79.67 -39.5 31.22 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.405 0.548 . . . . 0.0 111.438 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.66 -43.91 76.74 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.238 1.015 . . . . 0.0 112.211 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -70.31 -22.68 62.8 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -47.46 13.99 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.431 1.014 . . . . 0.0 112.195 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -63.76 -32.97 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.391 0.996 . . . . 0.0 110.928 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.07 72.31 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 125.075 1.321 . . . . 0.0 113.705 170.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -52.98 48.05 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.908 1.354 . . . . 0.0 111.071 170.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.46 -39.58 84.12 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.447 0.699 . . . . 0.0 111.596 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.85 -48.9 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.729 0.695 . . . . 0.0 111.099 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.55 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.383 0.992 . . . . 0.0 113.434 -174.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.6 mt -72.14 -54.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 169.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.85 -43.13 99.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.824 0.738 . . . . 0.0 112.71 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.1 -18.0 60.86 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -59.92 -44.13 94.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.703 0.801 . . . . 0.0 110.877 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -80.6 -30.88 36.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.516 1.126 . . . . 0.0 113.155 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -70.73 -41.16 72.23 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.19 0.904 . . . . 0.0 112.774 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.11 -14.73 61.89 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 124.7 1.143 . . . . 0.0 113.977 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.89 -31.93 73.29 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.853 1.261 . . . . 0.0 112.008 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -93.67 -45.8 7.54 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.684 1.194 . . . . 0.0 110.627 170.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.08 -8.95 56.26 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.499 1.524 . . . . 0.0 116.181 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.62 -30.16 62.8 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.697 1.199 . . . . 0.0 113.613 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -171.79 169.89 5.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.838 2.055 . . . . 0.0 112.188 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 53.55 0.61 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.505 1.922 . . . . 0.0 113.314 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.16 148.54 52.48 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.43 1.492 . . . . 0.0 110.151 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.9 mt -112.67 145.15 40.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.634 1.573 . . . . 0.0 108.706 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -79.14 168.88 18.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.137 -0.977 . . . . 0.0 109.205 169.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -57.21 -38.39 73.65 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.403 -1.435 . . . . 0.0 111.809 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -75.29 -34.52 61.31 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -72.62 -33.54 66.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.86 1.209 . . . . 0.0 111.646 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.81 -48.07 82.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.508 0.723 . . . . 0.0 109.97 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -56.9 -26.74 59.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 117.808 -1.091 . . . . 0.0 113.45 171.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.62 -47.38 69.78 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.995 1.725 . . . . 0.0 110.595 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.76 -58.34 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.258 1.023 . . . . 0.0 111.461 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.2 pt -72.73 -19.77 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -171.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -79.84 -29.48 40.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 120.852 1.66 . . . . 0.0 112.258 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -86.06 -47.24 9.73 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.598 1.09 . . . . 0.0 113.671 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -55.92 4.05 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.376 0.671 . . . . 0.0 110.529 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 72.7 mt -89.85 39.39 0.96 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.296 0.953 . . . . 0.0 111.051 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 126.131 1.773 . . . . 0.0 112.985 -169.701 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.38 -31.57 63.96 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.126 1.37 . . . . 0.0 113.205 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.89 69.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.941 0.896 . . . . 0.0 113.092 174.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -81.67 -38.68 25.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.116 0.966 . . . . 0.0 111.064 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mm -60.72 -43.93 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.961 0.904 . . . . 0.0 111.56 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.68 -29.86 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.96 -37.06 55.97 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.279 -0.888 . . . . 0.0 111.95 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.17 -43.74 98.16 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.204 0.911 . . . . 0.0 111.895 170.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 33.5 ttp -56.67 -44.9 81.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.02 1.328 . . . . 0.0 111.975 172.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.54 -37.02 73.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.744 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -65.96 -32.0 73.23 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.966 1.307 . . . . 0.0 112.358 173.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -67.58 -48.24 67.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.552 1.541 . . . . 0.0 110.804 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.2 -25.37 67.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 114.141 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -54.22 -27.61 35.6 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.961 1.255 . . . . 0.0 113.627 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -80.6 -14.53 58.12 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.864 0.866 . . . . 0.0 113.288 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -132.05 -142.98 0.22 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.488 2.315 . . . . 0.0 109.147 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.83 101.93 1.65 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.229 1.411 . . . . 0.0 111.172 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 75.38 12.04 3.29 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.965 2.506 . . . . 0.0 112.611 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.59 157.84 30.55 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.401 1.88 . . . . 0.0 109.903 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.0 t -119.76 102.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.2 1.8 . . . . 0.0 107.734 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -85.3 156.49 20.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.789 0.836 . . . . 0.0 112.177 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -55.19 -41.91 72.56 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -169.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.06 -44.74 96.03 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.78 -0.575 . . . . 0.0 110.584 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -73.76 -30.88 63.04 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.076 0.951 . . . . 0.0 112.235 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.65 -47.41 84.53 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.556 0.742 . . . . 0.0 111.394 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 mt -72.16 -34.54 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 O-C-N 121.172 -0.955 . . . . 0.0 112.125 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 63.5 m -55.46 -44.93 76.89 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.994 0.816 . . . . 0.0 110.873 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.32 -36.46 79.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.895 0.878 . . . . 0.0 113.072 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.17 -19.82 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.328 0.967 . . . . 0.0 112.479 171.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.72 86.42 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 119.494 1.043 . . . . 0.0 111.731 169.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.63 75.56 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.356 1.078 . . . . 0.0 112.531 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.01 -43.63 87.12 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.619 0.768 . . . . 0.0 110.761 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -34.42 75.61 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.624 1.17 . . . . 0.0 112.428 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.5 mtp -68.35 -19.11 64.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -70.81 -28.97 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.856 1.207 . . . . 0.0 111.843 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -78.33 46.03 0.6 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.066 1.346 . . . . 0.0 109.636 168.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.24 -28.4 27.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -168.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -58.97 -34.34 71.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.154 -0.966 . . . . 0.0 112.512 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.25 -15.16 62.88 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.984 1.314 . . . . 0.0 113.624 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.4 mt -102.95 -17.16 15.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.391 1.476 . . . . 0.0 112.929 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 124.816 1.247 . . . . 0.0 112.198 173.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.143 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.1 -43.57 66.94 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.713 1.605 . . . . 0.0 113.492 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -54.55 -29.09 49.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.171 1.388 . . . . 0.0 113.749 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -68.54 -22.28 64.51 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.3 t -95.85 -40.43 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.581 1.552 . . . . 0.0 108.742 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -57.88 -45.35 86.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.833 1.253 . . . . 0.0 110.28 169.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.89 -38.42 82.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.357 0.663 . . . . 0.0 112.371 174.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -66.54 -12.66 58.74 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 36.1 mm -96.22 -47.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.249 0.931 . . . . 0.0 110.085 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.24 -46.8 35.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.162 1.385 . . . . 0.0 113.842 174.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.66 -1.72 17.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -172.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.95 -20.99 60.19 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.067 0.947 . . . . 0.0 112.911 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 155.23 15.43 0.05 OUTLIER Glycine 0 CA--C 1.535 1.331 0 N-CA-C 118.124 2.01 . . . . 0.0 118.124 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -74.6 130.4 39.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.632 2.216 . . . . 0.0 111.557 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -167.53 -26.01 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.069 1.347 . . . . 0.0 113.916 -169.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.87 -18.24 21.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.805 1.642 . . . . 0.0 114.946 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 58.9 tpp -42.83 -42.86 3.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.302 2.241 . . . . 0.0 113.143 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -50.02 -36.36 28.4 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.578 1.551 . . . . 0.0 113.87 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.95 -41.84 58.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.011 0.924 . . . . 0.0 112.029 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 88.7 m -66.75 -44.5 81.33 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.045 0.938 . . . . 0.0 110.735 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.69 -50.18 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.836 0.855 . . . . 0.0 111.056 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -53.05 -43.44 66.66 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.719 0.69 . . . . 0.0 112.3 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -25.61 68.39 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -89.12 -34.33 16.76 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.486 -0.759 . . . . 0.0 112.49 170.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 42.3 m0 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -170.353 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.188 0 N-CA-C 116.357 1.303 . . . . 0.0 116.357 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.57 -40.61 83.61 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.332 1.566 . . . . 0.0 113.134 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.59 -23.98 44.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.353 1.461 . . . . 0.0 113.429 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -74.23 -17.56 60.87 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 119.632 1.106 . . . . 0.0 113.941 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.07 -39.37 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.229 1.412 . . . . 0.0 109.637 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.65 -34.23 77.8 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.048 1.339 . . . . 0.0 111.477 170.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.17 -29.64 63.83 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.501 1.12 . . . . 0.0 112.508 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -63.83 -24.25 67.68 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.732 -1.23 . . . . 0.0 113.121 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 40.1 mm -86.22 -37.61 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.901 1.28 . . . . 0.0 111.247 174.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.35 -44.42 88.78 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.151 -0.968 . . . . 0.0 112.076 169.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -78.74 -1.08 32.88 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.807 1.643 . . . . 0.0 113.787 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.93 -18.76 53.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.939 0.896 . . . . 0.0 112.323 171.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.23 144.43 7.1 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.263 1.411 . . . . 0.0 113.628 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -159.48 154.14 24.38 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.655 1.582 . . . . 0.0 112.527 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.55 -7.3 3.26 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.739 1.616 . . . . 0.0 113.298 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -71.14 -38.39 72.24 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.662 1.119 . . . . 0.0 113.217 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.0 mmt -55.01 -47.08 75.17 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.222 0.919 . . . . 0.0 111.073 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -58.36 -22.99 55.56 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.983 -1.073 . . . . 0.0 113.529 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -99.62 -27.74 13.53 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.044 1.338 . . . . 0.0 113.335 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 35.5 p -87.9 -40.72 13.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.143 1.338 . . . . 0.0 112.733 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 26.5 mm -57.99 -40.91 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.552 1.141 . . . . 0.0 111.819 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -57.57 -50.75 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.383 0.673 . . . . 0.0 111.811 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.64 -49.47 66.1 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.197 0.599 . . . . 0.0 111.762 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -52.65 -42.18 64.46 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.395 1.078 . . . . 0.0 112.505 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 91.0 t90 . . . . . 0 CA--C 1.537 0.449 0 CA-C-N 118.163 0.438 . . . . 0.0 111.724 179.797 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -55.78 -41.2 89.67 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.54 -35.85 88.45 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.324 2.683 . . . . 0.0 113.817 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.5 tp -75.84 -40.74 54.2 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.841 0.746 . . . . 0.0 110.67 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -57.08 -41.48 78.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.541 1.137 . . . . 0.0 111.925 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -72.04 -20.81 61.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -46.47 14.21 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.192 1.36 . . . . 0.0 112.632 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 pt -66.63 -31.29 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.09 -1.006 . . . . 0.0 111.293 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -27.84 73.04 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.196 0.903 . . . . 0.0 112.663 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -52.55 33.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.916 1.286 . . . . 0.0 110.122 174.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.61 -38.93 75.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.593 1.957 . . . . 0.0 112.042 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.43 -51.49 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 118.862 0.755 . . . . 0.0 110.787 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -31.92 77.25 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.993 0.806 . . . . 0.0 113.886 -173.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.42 -38.66 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 118.022 -0.989 . . . . 0.0 111.492 173.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -79.97 -52.52 7.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.023 1.283 . . . . 0.0 112.36 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -69.41 -23.19 63.68 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -58.33 -44.48 88.68 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.299 -0.876 . . . . 0.0 112.039 170.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -81.96 -26.98 33.5 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -67.87 -41.5 82.72 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.612 -1.305 . . . . 0.0 110.802 170.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.49 -26.79 71.99 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.997 0.808 . . . . 0.0 113.323 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt . . . . . 0 CA--C 1.545 0.786 0 CA-C-N 118.591 1.196 . . . . 0.0 112.691 172.001 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -113.0 20.28 16.5 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.157 1.383 . . . . 0.0 114.136 -169.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -130.24 151.36 50.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.551 1.941 . . . . 0.0 110.593 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -112.35 148.2 34.76 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.395 1.878 . . . . 0.0 108.997 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -78.33 153.59 31.58 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.049 -1.032 . . . . 0.0 108.726 168.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -53.92 -37.06 63.41 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.324 -1.485 . . . . 0.0 113.227 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -31.62 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.222 -0.924 . . . . 0.0 113.352 173.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -76.44 -30.46 57.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.594 0.758 . . . . 0.0 111.898 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.37 -44.71 96.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -60.75 -39.93 90.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.906 -1.121 . . . . 0.0 112.37 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.54 -47.8 84.13 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.526 -0.75 . . . . 0.0 111.546 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.12 -47.41 71.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.527 1.058 . . . . 0.0 111.198 174.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.98 -52.97 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.02 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.62 -23.98 58.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.099 1.318 . . . . 0.0 113.234 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.5 -41.13 15.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.575 1.08 . . . . 0.0 112.961 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.83 -52.72 5.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.129 0.877 . . . . 0.0 111.707 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.34 -48.69 8.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.246 0.618 . . . . 0.0 110.366 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 127.844 2.458 . . . . 0.0 111.857 169.533 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.06 -29.77 67.56 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.965 1.711 . . . . 0.0 112.243 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.6 -25.85 66.81 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.499 1.12 . . . . 0.0 113.219 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -81.65 -35.97 29.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 110.396 171.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.8 mm -62.14 -41.95 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.062 -0.971 . . . . 0.0 111.797 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.62 -26.42 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.382 1.446 . . . . 0.0 112.848 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -75.82 -37.49 59.04 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.514 1.052 . . . . 0.0 112.125 170.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.33 -38.01 89.47 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.217 -0.927 . . . . 0.0 111.732 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttp -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.602 1.161 . . . . 0.0 110.713 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.16 -39.61 93.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.778 0.831 . . . . 0.0 112.767 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -69.2 -23.91 63.97 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.22 -44.66 19.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.246 1.418 . . . . 0.0 111.716 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.25 -35.51 73.85 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.056 1.742 . . . . 0.0 114.084 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -71.77 -6.04 38.56 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -74.21 -15.11 61.01 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.367 1.067 . . . . 0.0 112.937 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -128.09 -95.25 0.42 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.16 1.784 . . . . 0.0 111.368 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -168.86 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.832 1.653 . . . . 0.0 113.178 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.6 16.54 1.13 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.896 1.278 . . . . 0.0 111.83 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -143.59 159.0 43.24 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.185 1.794 . . . . 0.0 111.193 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.11 114.05 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 108.737 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -83.76 151.03 25.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.82 1.248 . . . . 0.0 112.31 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.98 -45.13 79.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -73.12 -34.89 66.4 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.289 -0.882 . . . . 0.0 111.286 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.24 -37.83 78.17 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.826 0.85 . . . . 0.0 111.413 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.21 -47.92 83.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.531 1.532 . . . . 0.0 111.169 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.2 mt -67.98 -37.37 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.181 -0.949 . . . . 0.0 112.141 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 m -59.05 -44.26 91.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.177 0.899 . . . . 0.0 111.084 172.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.68 -37.8 87.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.821 0.848 . . . . 0.0 112.559 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.06 -29.72 70.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.819 1.19 . . . . 0.0 111.949 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.68 93.91 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.148 0.88 . . . . 0.0 112.384 169.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.41 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.071 0.935 . . . . 0.0 111.86 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 tp -51.78 -46.96 64.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.969 1.707 . . . . 0.0 110.608 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.96 79.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.05 1.34 . . . . 0.0 112.797 177.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -73.99 -23.06 59.4 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.298 1.408 . . . . 0.0 114.622 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.25 -30.57 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.516 0.726 . . . . 0.0 110.508 170.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -75.88 46.09 0.37 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 111.131 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.82 -29.17 4.29 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 118.42 2.748 . . . . 0.0 118.42 -168.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.15 -35.02 72.77 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.621 1.1 . . . . 0.0 112.082 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.89 89.01 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.207 1.403 . . . . 0.0 112.682 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.65 -41.93 52.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.974 1.31 . . . . 0.0 110.91 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.49 -37.0 86.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.523 1.129 . . . . 0.0 112.927 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 C-N-CA 125.942 1.734 . . . . 0.0 113.149 176.422 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.59 57.25 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -49.3 -32.53 4.8 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -172.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -69.26 -38.46 8.85 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.05 2.5 . . . . 0.0 113.943 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 tp -81.48 -37.07 28.53 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.736 1.153 . . . . 0.0 111.56 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.85 -40.79 76.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.972 1.709 . . . . 0.0 112.29 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.04 -35.87 81.7 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 172.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.48 64.31 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.633 1.106 . . . . 0.0 112.853 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 pt -68.35 -24.17 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.975 -0.453 . . . . 0.0 111.589 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.46 -39.22 61.6 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.596 1.094 . . . . 0.0 113.177 170.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -51.84 65.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.05 1.34 . . . . 0.0 111.187 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 mt -53.31 -43.79 67.85 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.021 1.728 . . . . 0.0 112.761 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.82 -45.28 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.954 0.901 . . . . 0.0 111.019 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.54 -27.78 73.06 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 124.85 1.214 . . . . 0.0 113.847 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.2 mt -75.3 -49.49 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 118.597 1.199 . . . . 0.0 111.23 170.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -64.59 -52.61 56.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.304 0.957 . . . . 0.0 112.204 -174.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -75.27 -11.98 60.18 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -172.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.61 -42.51 88.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.575 0.75 . . . . 0.0 111.019 169.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -81.53 -28.8 33.79 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.766 1.227 . . . . 0.0 113.26 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -66.48 -44.75 81.8 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.977 -1.077 . . . . 0.0 111.237 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 -3.93 38.16 Favored Glycine 0 N--CA 1.473 1.146 0 C-N-CA 125.46 1.505 . . . . 0.0 114.852 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.19 -30.55 70.48 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.442 1.097 . . . . 0.0 111.787 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.09 -4.08 3.94 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.7 23.56 27.97 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.76 1.172 . . . . 0.0 113.717 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -69.76 168.46 14.98 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.21 1.404 . . . . 0.0 111.987 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -101.69 -141.16 0.35 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.431 1.092 . . . . 0.0 112.727 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -78.43 14.48 1.23 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.892 1.677 . . . . 0.0 115.135 -170.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -128.22 149.76 50.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.08 2.152 . . . . 0.0 110.948 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -120.43 137.53 54.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.822 1.249 . . . . 0.0 110.266 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.2 p -78.09 155.33 30.62 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.513 -0.742 . . . . 0.0 110.172 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -57.59 -33.81 68.58 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.635 -1.29 . . . . 0.0 114.185 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.93 -28.66 39.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.9 -37.21 70.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 110.667 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.74 -43.83 98.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.656 1.182 . . . . 0.0 109.684 169.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -57.77 -44.73 86.39 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.811 -1.181 . . . . 0.0 111.807 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.13 -46.96 87.0 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.834 -1.079 . . . . 0.0 111.398 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.34 -49.12 73.04 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.872 1.214 . . . . 0.0 111.247 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -66.77 -44.09 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 119.035 0.834 . . . . 0.0 111.443 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -68.03 -37.82 81.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.873 1.215 . . . . 0.0 113.061 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -86.06 -41.28 14.93 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -87.24 -50.63 6.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.265 0.939 . . . . 0.0 111.571 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 mt -95.94 66.96 2.65 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.993 0.901 . . . . 0.0 108.799 -172.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.48 1.049 0 C-N-CA 129.745 3.218 . . . . 0.0 115.784 -169.582 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.01 -30.1 71.2 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.639 -1.288 . . . . 0.0 113.134 -170.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.2 -32.14 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.473 1.109 . . . . 0.0 112.739 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -81.03 -31.81 34.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.3 0.64 . . . . 0.0 111.124 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.7 mm -65.08 -42.37 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.911 1.232 . . . . 0.0 111.224 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.23 -22.34 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.25 1.386 . . . . 0.0 112.911 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -77.16 -37.57 53.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.102 0.865 . . . . 0.0 111.377 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.68 -33.47 75.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.724 0.81 . . . . 0.0 111.371 172.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 65.6 mtp -60.14 -40.29 89.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.931 0.787 . . . . 0.0 111.381 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.67 -30.6 71.32 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.209 1.004 . . . . 0.0 112.62 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -77.3 -23.79 51.03 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.34 -41.88 23.96 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.155 1.382 . . . . 0.0 111.707 170.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.91 -13.39 56.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.691 1.996 . . . . 0.0 112.942 173.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -53.54 -31.72 47.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.563 1.945 . . . . 0.0 112.809 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -79.64 -56.63 4.16 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.445 1.098 . . . . 0.0 111.905 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -143.31 124.9 14.87 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.907 1.683 . . . . 0.0 110.656 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -81.3 -37.68 28.0 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -169.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.47 -38.68 62.86 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.132 0.573 . . . . 0.0 111.947 -174.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.08 139.36 13.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.097 1.359 . . . . 0.0 110.165 172.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.6 t -93.85 121.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.871 1.269 . . . . 0.0 108.224 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -80.53 148.01 30.58 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.567 0.747 . . . . 0.0 112.033 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.43 -40.6 62.38 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -172.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.67 -46.56 89.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.518 0.599 . . . . 0.0 110.689 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -29.52 62.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.66 0.784 . . . . 0.0 111.926 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.35 -38.33 86.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.95 0.9 . . . . 0.0 109.797 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 51.5 mt -72.57 -35.23 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 118.033 -0.984 . . . . 0.0 112.491 172.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -56.87 -43.75 81.54 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.782 1.628 . . . . 0.0 111.156 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -64.6 -39.45 93.74 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 112.245 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.84 -24.11 66.82 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.039 -1.038 . . . . 0.0 112.405 172.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.25 -39.26 82.32 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.667 1.127 . . . . 0.0 112.091 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.088 0.944 . . . . 0.0 111.919 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.53 -43.01 93.59 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.013 0.925 . . . . 0.0 110.695 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.21 77.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.46 1.104 . . . . 0.0 113.358 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 99.0 mtp -68.18 -32.59 72.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.356 0.98 . . . . 0.0 112.896 170.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.34 -33.04 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.775 0.716 . . . . 0.0 111.296 170.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -71.73 43.21 0.09 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.535 1.534 . . . . 0.0 112.891 169.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -52.32 -27.53 15.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.446 3.099 . . . . 0.0 116.309 -170.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -62.82 -36.92 84.77 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.961 1.255 . . . . 0.0 112.244 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.06 -15.32 62.98 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.28 -0.887 . . . . 0.0 113.0 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.09 8.24 38.76 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.954 2.102 . . . . 0.0 111.807 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 92.3 mttt . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.831 1.652 . . . . 0.0 111.136 171.08 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.259 0 N-CA-C 113.974 0.35 . . . . 0.0 113.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 36.1 tp -46.6 -63.75 0.93 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.344 2.257 . . . . 0.0 112.083 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -50.66 -31.75 17.14 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.986 1.714 . . . . 0.0 114.342 -177.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.0 -20.72 62.38 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 -37.63 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.812 1.245 . . . . 0.0 108.558 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.79 -26.94 64.51 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.229 1.811 . . . . 0.0 112.141 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -55.45 -29.15 58.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.436 1.095 . . . . 0.0 112.869 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.52 -17.4 64.65 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.228 -0.92 . . . . 0.0 113.207 176.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 20.8 mt -96.21 -42.55 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.359 1.464 . . . . 0.0 110.85 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -46.18 -45.32 16.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.039 1.336 . . . . 0.0 113.611 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.27 -12.2 54.96 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -111.16 -1.81 16.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.001 2.12 . . . . 0.0 114.337 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.1 134.65 34.26 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.251 0.929 . . . . 0.0 112.636 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.16 152.63 38.44 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.11 -22.65 61.17 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.295 1.838 . . . . 0.0 114.152 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.08 -19.89 55.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.513 1.051 . . . . 0.0 113.429 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 37.1 mtt -55.83 -47.83 76.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.96 1.254 . . . . 0.0 111.733 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -58.81 -38.65 79.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.808 0.843 . . . . 0.0 111.685 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -72.66 -33.93 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.191 0.996 . . . . 0.0 111.55 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 89.9 m -70.17 -48.5 57.01 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.401 1.88 . . . . 0.0 111.203 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.63 -44.99 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.198 0.599 . . . . 0.0 110.453 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.24 -54.42 47.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.183 0.593 . . . . 0.0 112.518 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -68.97 -18.13 64.03 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.43 29.18 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.249 0.932 . . . . 0.0 112.021 169.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 38.5 t90 . . . . . 0 N--CA 1.468 0.425 0 C-N-CA 126.513 1.925 . . . . 0.0 112.701 -177.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.085 0 N-CA-C 113.468 0.147 . . . . 0.0 113.468 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -38.36 67.58 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.019 0.927 . . . . 0.0 113.315 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -56.81 -25.26 55.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.815 1.246 . . . . 0.0 113.802 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -72.38 -18.08 61.77 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 173.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.79 -37.96 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.037 1.335 . . . . 0.0 108.798 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.73 -33.71 76.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.012 1.325 . . . . 0.0 111.202 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -51.99 -36.26 49.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.119 1.367 . . . . 0.0 112.305 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' D' ' 198' ' ' LYS . 11.0 mmpt? -69.0 -12.83 62.04 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.114 -1.616 . . . . 0.0 114.039 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.1 mt -95.29 -35.73 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.183 1.393 . . . . 0.0 110.219 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.47 -40.33 86.59 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.292 1.037 . . . . 0.0 111.265 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -85.08 -0.48 54.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.683 1.593 . . . . 0.0 113.641 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -96.66 -47.23 5.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.506 1.523 . . . . 0.0 108.969 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 76.74 168.28 28.18 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 118.654 2.222 . . . . 0.0 118.654 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -161.8 159.05 26.55 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.604 3.162 . . . . 0.0 108.231 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -112.57 -16.32 12.87 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.087 2.254 . . . . 0.0 117.087 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.77 -32.52 73.17 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.377 1.444 . . . . 0.0 113.162 -177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 11.0 ttm -50.1 -48.72 53.18 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.972 1.309 . . . . 0.0 109.929 168.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -78.77 -26.13 44.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.619 . . . . 0.0 111.417 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -75.12 -32.47 61.38 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.226 0.921 . . . . 0.0 111.592 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 60.4 m -69.86 -49.02 56.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.915 1.286 . . . . 0.0 110.92 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.1 -48.21 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.705 0.802 . . . . 0.0 110.767 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -53.09 -62.24 1.78 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.98 0.912 . . . . 0.0 111.817 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.76 -30.02 71.13 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.65 -1.281 . . . . 0.0 113.619 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.24 -26.94 47.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.8 t90 . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 124.246 1.018 . . . . 0.0 113.142 -178.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.045 0.45 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 p -59.54 -29.5 5.96 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.61 -45.94 15.95 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.56 2.174 . . . . 0.0 113.375 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.87 -38.6 57.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.889 0.768 . . . . 0.0 111.475 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.19 -46.82 82.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.895 1.278 . . . . 0.0 111.936 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -70.39 -20.52 62.93 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.14 -47.78 13.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.359 0.982 . . . . 0.0 112.666 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -62.92 -33.94 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.235 -0.916 . . . . 0.0 110.943 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.58 75.37 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.816 -0.991 . . . . 0.0 113.434 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.82 65.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.995 1.397 . . . . 0.0 110.036 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.22 -37.79 84.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.048 0.939 . . . . 0.0 112.14 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.99 -48.28 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 119.699 1.136 . . . . 0.0 110.823 173.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.34 86.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.87 0.748 . . . . 0.0 112.946 -175.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 mt -64.45 -37.73 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.131 0.965 . . . . 0.0 112.115 171.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -77.99 -59.65 2.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.897 0.771 . . . . 0.0 112.629 -175.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -68.13 -22.5 64.87 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -62.37 -30.77 71.42 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.268 -0.895 . . . . 0.0 112.641 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -82.01 -40.81 21.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.236 -0.887 . . . . 0.0 112.373 169.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -62.53 -13.31 29.31 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.12 -0.19 61.84 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.434 1.016 . . . . 0.0 114.817 172.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 N--CA 1.472 0.65 0 CA-C-N 118.982 1.391 . . . . 0.0 112.44 -176.369 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.7 mttm . . . . . 0 CA--C 1.55 0.968 0 CA-C-O 121.837 0.827 . . . . 0.0 113.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -75.34 37.47 0.13 Allowed 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 126.567 1.947 . . . . 0.0 114.107 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -141.81 131.26 23.78 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.639 1.975 . . . . 0.0 109.013 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.88 137.4 32.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.164 1.386 . . . . 0.0 111.333 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -78.88 154.42 29.76 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.515 -0.74 . . . . 0.0 109.14 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -56.4 -38.16 71.14 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 119.711 -1.868 . . . . 0.0 114.292 -173.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -68.23 -37.02 80.39 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.652 1.181 . . . . 0.0 112.53 173.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -67.49 -40.34 85.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 110.558 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.51 -44.5 94.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.453 1.501 . . . . 0.0 110.717 169.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.0 -39.93 87.47 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.607 -1.308 . . . . 0.0 112.031 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.29 -45.18 94.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.06 172.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -51.49 -53.25 39.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.378 0.99 . . . . 0.0 111.053 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.65 -47.46 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.903 0.774 . . . . 0.0 111.558 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.88 -32.65 74.06 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -83.16 -42.99 16.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -85.99 -43.73 12.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.962 0.801 . . . . 0.0 112.069 -172.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -107.06 63.12 0.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.104 1.361 . . . . 0.0 109.099 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 126.712 2.005 . . . . 0.0 114.045 -169.646 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 CA--C 1.546 0.806 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.86 -25.36 63.23 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.015 -1.678 . . . . 0.0 113.366 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.84 71.1 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 113.188 169.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.59 -33.5 31.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.834 0.854 . . . . 0.0 110.681 170.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.03 -39.33 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.023 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.05 -26.11 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-N 120.395 1.452 . . . . 0.0 112.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.16 -35.8 61.57 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.241 0.928 . . . . 0.0 112.554 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -68.02 -36.04 79.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.433 -0.792 . . . . 0.0 112.155 170.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.4 ttp -60.91 -43.27 98.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.617 1.167 . . . . 0.0 111.596 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.01 -43.79 86.89 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.208 1.003 . . . . 0.0 112.262 169.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -36.4 84.28 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.932 0.787 . . . . 0.0 112.915 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.11 -40.42 74.9 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.073 1.349 . . . . 0.0 111.803 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.65 -19.4 65.19 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.277 1.831 . . . . 0.0 114.319 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -57.33 -18.99 19.69 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -71.21 -17.5 62.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -150.9 -116.79 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.545 1.138 . . . . 0.0 111.722 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -127.41 -47.64 1.44 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.79 1.632 . . . . 0.0 113.212 -169.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -141.27 4.59 1.82 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.269 1.828 . . . . 0.0 112.019 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.97 167.2 25.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.948 1.699 . . . . 0.0 112.815 -169.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 t -133.12 115.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.511 1.924 . . . . 0.0 109.875 -175.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.2 148.6 32.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.69 -0.631 . . . . 0.0 111.781 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -48.19 -50.68 28.26 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -70.92 -27.35 63.71 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.947 -1.096 . . . . 0.0 112.964 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.76 -34.5 58.04 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.602 0.637 . . . . 0.0 111.687 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -60.89 -42.5 98.12 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.343 -0.848 . . . . 0.0 110.535 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -65.64 -37.91 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.369 -0.832 . . . . 0.0 111.847 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -62.1 -37.52 85.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.497 1.044 . . . . 0.0 111.671 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -65.11 -39.75 93.55 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.162 0.892 . . . . 0.0 112.061 171.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.25 -24.52 67.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.325 0.966 . . . . 0.0 112.281 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.34 -38.28 58.57 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.506 1.051 . . . . 0.0 112.929 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.32 81.33 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.047 0.923 . . . . 0.0 112.255 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.0 -42.85 89.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.123 0.969 . . . . 0.0 111.479 172.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.24 67.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.794 0.838 . . . . 0.0 112.629 172.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.66 -31.24 36.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.57 1.148 . . . . 0.0 113.384 172.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -65.16 -32.79 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.719 1.145 . . . . 0.0 111.45 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.63 52.38 0.39 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.14 1.376 . . . . 0.0 110.889 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -55.7 -12.81 1.38 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 117.142 -169.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.88 -26.24 65.91 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.207 -1.558 . . . . 0.0 111.625 169.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.93 69.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.077 1.351 . . . . 0.0 113.371 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.16 -9.22 59.83 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.575 1.55 . . . . 0.0 112.291 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -125.04 10.59 8.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 113.362 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.898 1.713 . . . . 0.0 114.46 -179.804 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.9 mtp . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.73 -67.22 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.783 2.033 . . . . 0.0 114.426 -171.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.8 m -59.11 -46.13 99.37 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-O 117.352 -1.308 . . . . 0.0 114.212 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -53.27 -40.57 77.23 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.849 3.033 . . . . 0.0 114.696 170.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.45 -43.7 55.02 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.457 1.026 . . . . 0.0 111.656 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.04 -38.03 87.19 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.303 1.441 . . . . 0.0 112.03 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -72.39 -28.55 63.07 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.55 -43.99 30.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.728 1.149 . . . . 0.0 112.861 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.9 pt -60.89 -35.12 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.538 1.063 . . . . 0.0 110.129 169.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.4 -17.55 70.64 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.731 1.158 . . . . 0.0 114.214 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -53.47 10.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.087 1.444 . . . . 0.0 109.882 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.69 -42.31 75.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.827 0.851 . . . . 0.0 110.943 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm -76.05 -35.68 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 118.641 0.655 . . . . 0.0 112.598 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.23 80.25 Favored Glycine 0 N--CA 1.469 0.893 0 C-N-CA 124.442 1.02 . . . . 0.0 112.226 175.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -73.65 -60.76 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.077 0.951 . . . . 0.0 109.248 169.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -53.6 -51.02 64.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.202 0.91 . . . . 0.0 113.14 -172.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -70.91 -19.67 62.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -169.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.21 -45.6 72.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.102 0.961 . . . . 0.0 111.556 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -80.49 -33.24 36.71 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.2 p -71.4 -43.18 67.28 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.419 1.009 . . . . 0.0 111.481 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.69 -20.55 64.11 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.73 1.157 . . . . 0.0 113.889 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.59 -31.61 69.62 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 118.571 1.186 . . . . 0.0 111.993 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -94.64 3.98 54.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 113.16 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.96 16.02 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 125.185 1.374 . . . . 0.0 113.7 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.86 -15.43 60.72 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -170.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -76.18 122.35 24.21 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.425 -0.797 . . . . 0.0 111.476 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -83.12 51.84 2.05 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.582 1.553 . . . . 0.0 113.214 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.3 p -133.86 163.64 29.06 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.946 1.698 . . . . 0.0 111.464 -176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.0 mt -121.07 126.87 50.93 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.128 1.371 . . . . 0.0 109.491 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -78.36 156.85 29.31 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 169.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -60.62 -26.49 67.06 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.767 -1.208 . . . . 0.0 114.174 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -78.52 -35.69 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.949 -1.094 . . . . 0.0 113.588 170.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -67.68 -37.3 82.13 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.703 0.683 . . . . 0.0 111.292 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.06 -43.5 86.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.175 1.39 . . . . 0.0 111.276 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -62.77 -35.69 80.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.692 -1.255 . . . . 0.0 111.803 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -46.37 90.14 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.051 1.34 . . . . 0.0 111.754 172.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -57.6 -53.02 62.95 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.769 1.228 . . . . 0.0 111.581 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.9 mt -61.25 -47.43 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.339 0.972 . . . . 0.0 111.585 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.64 -24.38 67.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.862 1.21 . . . . 0.0 112.995 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -86.56 -56.49 3.4 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -88.28 -15.84 34.71 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -169.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.5 mt -138.36 56.75 1.72 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.429 1.892 . . . . 0.0 109.785 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 122.185 0.993 . . . . 0.0 111.73 -177.541 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.03 -35.53 78.85 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.458 -1.401 . . . . 0.0 111.525 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.72 -28.07 68.38 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.019 1.328 . . . . 0.0 113.013 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.89 -39.18 24.23 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.484 1.114 . . . . 0.0 111.016 171.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.22 -42.32 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.669 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.83 -29.15 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 120.286 1.403 . . . . 0.0 113.034 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -74.3 -35.95 63.72 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.058 0.845 . . . . 0.0 112.64 171.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.12 -37.08 83.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.331 -0.856 . . . . 0.0 111.811 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -60.4 -39.11 86.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.978 1.311 . . . . 0.0 111.467 170.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -65.15 -38.07 89.42 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.066 0.946 . . . . 0.0 113.096 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.19 -20.8 62.23 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.794 1.179 . . . . 0.0 113.811 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.5 -44.3 19.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.46 1.104 . . . . 0.0 110.663 169.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -57.69 -38.91 76.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.525 1.13 . . . . 0.0 112.576 171.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -56.31 -23.2 35.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.158 2.183 . . . . 0.0 113.689 171.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -78.43 -5.1 51.47 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.688 1.195 . . . . 0.0 113.176 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -153.26 -135.35 0.06 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 125.95 1.7 . . . . 0.0 111.189 172.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -118.49 -23.59 7.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.047 1.739 . . . . 0.0 114.71 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -172.12 -32.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.905 1.682 . . . . 0.0 112.207 -173.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -140.39 140.14 35.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.421 1.488 . . . . 0.0 110.745 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.1 m -95.44 134.84 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.25 1.02 . . . . 0.0 110.059 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -80.58 163.83 23.38 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.356 0.598 . . . . 0.0 112.126 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -42.18 -46.8 4.51 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.877 2.071 . . . . 0.0 114.101 172.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.8 -45.33 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.887 0.767 . . . . 0.0 111.374 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.48 -26.94 61.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.577 0.751 . . . . 0.0 112.496 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.58 -42.29 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.816 -0.552 . . . . 0.0 111.273 169.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.29 -42.78 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.737 -0.602 . . . . 0.0 110.666 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.5 m -57.75 -45.48 85.84 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.639 0.776 . . . . 0.0 111.56 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -66.58 -38.41 86.97 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.972 0.805 . . . . 0.0 112.022 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.58 -28.86 68.85 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.917 1.235 . . . . 0.0 112.372 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.18 -40.74 96.98 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.93 0.776 . . . . 0.0 112.092 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.07 84.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.373 0.669 . . . . 0.0 111.957 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.54 -44.74 89.71 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.049 -1.032 . . . . 0.0 111.151 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.889 0.876 . . . . 0.0 112.571 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 46.1 tpp -68.77 -35.83 77.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.146 0.978 . . . . 0.0 111.127 169.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.63 -27.36 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.346 -0.846 . . . . 0.0 111.415 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -74.62 43.75 0.19 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 126.144 1.777 . . . . 0.0 111.33 170.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -56.19 -23.82 37.76 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.27 -35.63 80.9 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.183 1.81 . . . . 0.0 111.789 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.47 -20.2 63.74 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -91.77 11.92 23.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.955 2.102 . . . . 0.0 112.762 170.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt . . . . . 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 111.761 170.12 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.121 0 CA-C-O 119.483 -0.62 . . . . 0.0 114.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.74 -63.33 1.33 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 111.123 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -47.48 -42.38 22.69 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.45 1.5 . . . . 0.0 112.555 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.02 -13.22 45.16 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.28 -29.1 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.984 1.265 . . . . 0.0 109.788 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -80.65 -30.1 36.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.864 2.066 . . . . 0.0 111.488 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -56.36 -32.32 64.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.632 1.173 . . . . 0.0 111.994 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -61.52 -30.27 70.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 13.4 mt -81.24 -40.67 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.025 0.829 . . . . 0.0 111.108 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.3 -40.0 73.63 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.163 0.892 . . . . 0.0 112.739 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.37 -4.24 38.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.661 1.584 . . . . 0.0 114.292 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -109.34 7.18 25.0 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.819 2.048 . . . . 0.0 111.507 170.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.44 169.06 54.78 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.366 1.936 . . . . 0.0 114.085 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.48 158.71 15.33 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.63 -10.37 55.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.162 1.785 . . . . 0.0 113.17 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -62.99 -23.19 67.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.928 1.291 . . . . 0.0 113.814 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 7.8 mmt -53.17 -47.42 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.558 1.072 . . . . 0.0 112.965 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -65.48 -23.38 66.89 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.434 -0.791 . . . . 0.0 113.037 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.97 -51.68 7.82 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.011 1.724 . . . . 0.0 109.562 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 90.4 m -61.7 -51.82 66.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.974 2.11 . . . . 0.0 111.721 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.48 -42.9 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.687 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.96 -54.89 42.08 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.356 0.98 . . . . 0.0 112.104 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.83 -40.76 97.36 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.223 -0.923 . . . . 0.0 112.122 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.61 76.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.931 0.892 . . . . 0.0 113.036 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 N--CA 1.472 0.667 0 CA-C-N 119.151 0.887 . . . . 0.0 112.691 173.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 112.645 -0.182 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -52.21 -44.27 64.68 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.069 1.748 . . . . 0.0 113.769 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -26.84 41.29 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.615 1.166 . . . . 0.0 113.912 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.91 -16.42 58.23 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.307 0.958 . . . . 0.0 113.447 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.87 -38.92 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.28 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.31 -34.02 77.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.506 1.522 . . . . 0.0 112.025 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.76 -29.81 41.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 113.199 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -67.18 -21.49 65.78 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.531 -0.731 . . . . 0.0 112.935 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.3 mt -91.65 -37.5 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.136 1.374 . . . . 0.0 110.537 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.71 -38.61 69.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.747 -1.22 . . . . 0.0 112.985 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -6.72 35.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -101.02 -44.58 5.67 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.425 1.49 . . . . 0.0 109.146 169.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.69 165.37 40.45 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.038 1.78 . . . . 0.0 116.679 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -75.04 169.59 17.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.216 1.806 . . . . 0.0 111.741 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -152.77 -33.38 0.13 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -93.42 -23.62 18.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.175 0.99 . . . . 0.0 112.61 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 19.4 ttt -53.03 -50.24 64.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.394 1.078 . . . . 0.0 111.495 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -61.77 -30.79 71.03 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.399 1.08 . . . . 0.0 113.262 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -70.21 -42.82 71.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.047 0.939 . . . . 0.0 110.378 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 25.6 m -67.38 -45.82 75.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.747 0.819 . . . . 0.0 111.575 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.3 mt -55.85 -46.45 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.37 0.668 . . . . 0.0 111.073 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.41 -59.49 5.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.218 0.607 . . . . 0.0 111.557 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.17 -41.45 98.33 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.744 -1.223 . . . . 0.0 112.555 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.09 71.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 78.3 t90 . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 123.64 0.776 . . . . 0.0 112.851 170.644 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -56.51 -39.01 74.63 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -67.14 -41.83 8.9 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.248 1.965 . . . . 0.0 112.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 tp -74.76 -40.31 61.29 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.798 0.726 . . . . 0.0 111.17 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.06 -35.35 80.45 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.454 1.102 . . . . 0.0 112.664 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -73.63 -23.28 59.86 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -47.55 14.57 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.68 -32.75 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 120.996 -1.065 . . . . 0.0 111.142 170.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.81 70.49 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.155 0.883 . . . . 0.0 113.478 171.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -51.99 44.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.295 1.047 . . . . 0.0 110.046 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -59.51 -38.43 80.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.023 0.929 . . . . 0.0 112.212 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.03 -48.51 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.184 0.902 . . . . 0.0 110.744 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -27.92 73.29 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.424 1.011 . . . . 0.0 113.528 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.96 -51.63 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.492 1.117 . . . . 0.0 111.309 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -70.58 -51.18 30.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.668 1.122 . . . . 0.0 113.081 -173.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -68.66 -22.7 64.37 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -42.53 63.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.721 1.209 . . . . 0.0 112.687 169.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.43 -32.35 26.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 p -72.43 -41.99 65.56 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.318 1.417 . . . . 0.0 111.404 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.41 -11.01 64.11 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.416 1.484 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 N--CA 1.473 0.717 0 CA-C-N 118.658 1.229 . . . . 0.0 111.54 170.897 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.76 20.36 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -169.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.58 150.13 47.77 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.667 -1.271 . . . . 0.0 113.007 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -123.25 134.59 54.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.794 2.038 . . . . 0.0 110.211 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.8 p -79.5 168.65 19.14 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.485 -0.76 . . . . 0.0 112.47 171.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -53.97 -47.06 71.76 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.114 -0.991 . . . . 0.0 112.831 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.81 -35.09 64.84 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.355 -0.84 . . . . 0.0 112.465 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.53 -30.84 69.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 111.752 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.34 -45.1 70.25 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.175 0.99 . . . . 0.0 110.77 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.56 -35.96 75.25 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.188 -0.945 . . . . 0.0 112.101 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.75 -51.26 69.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 117.903 -1.046 . . . . 0.0 111.161 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 tt -49.59 -47.8 49.18 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.322 1.419 . . . . 0.0 111.339 173.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.44 -49.37 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 119.187 0.903 . . . . 0.0 112.184 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -69.89 -27.54 64.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.848 0.749 . . . . 0.0 112.852 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -86.91 -48.13 8.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.976 1.262 . . . . 0.0 113.688 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -87.04 -46.3 9.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.827 0.74 . . . . 0.0 112.259 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -82.78 -26.79 31.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.711 0.687 . . . . 0.0 110.803 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.306 6.0 t . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 127.769 2.428 . . . . 0.0 113.816 169.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.65 -23.67 66.22 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.869 -1.144 . . . . 0.0 112.998 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -26.52 67.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.485 1.114 . . . . 0.0 112.697 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.85 -35.79 28.96 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.741 0.817 . . . . 0.0 110.366 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -63.62 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 117.897 -1.049 . . . . 0.0 111.967 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -62.62 -34.25 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 120.04 1.291 . . . . 0.0 112.028 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -73.47 -36.57 65.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.179 0.899 . . . . 0.0 112.672 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.29 -39.26 92.38 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.689 1.131 . . . . 0.0 111.991 171.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -62.26 -37.2 84.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.805 172.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.03 -27.3 60.88 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.586 1.154 . . . . 0.0 113.457 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -75.05 -26.96 59.81 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 112.474 170.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.73 -51.55 40.21 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.577 1.151 . . . . 0.0 109.497 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.87 -22.21 35.21 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.002 1.721 . . . . 0.0 113.83 173.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -61.3 -21.46 63.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.557 1.543 . . . . 0.0 113.078 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -84.8 -31.27 23.98 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.532 1.133 . . . . 0.0 112.815 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -161.62 125.78 3.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.741 1.616 . . . . 0.0 111.521 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.5 129.97 41.58 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 114.051 -171.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 78.51 -45.46 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.887 3.275 . . . . 0.0 112.206 171.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -136.47 120.8 18.01 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 109.484 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.0 m -97.65 123.95 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.164 1.385 . . . . 0.0 110.196 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.16 155.41 30.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.298 0.57 . . . . 0.0 110.123 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -50.73 -34.91 28.89 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.48 1.512 . . . . 0.0 114.359 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -62.72 -45.6 91.96 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.084 -1.01 . . . . 0.0 112.163 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.6 -32.13 63.94 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.812 0.845 . . . . 0.0 111.709 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.2 -47.48 85.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.574 0.75 . . . . 0.0 111.166 169.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -66.21 -38.66 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.569 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -57.04 -42.96 81.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.473 1.033 . . . . 0.0 111.556 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.96 -35.27 76.57 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.04 -28.96 69.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.629 1.104 . . . . 0.0 111.656 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.39 81.04 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.213 0.911 . . . . 0.0 111.818 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.29 85.53 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.268 1.034 . . . . 0.0 111.901 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -53.85 -50.46 66.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.732 1.151 . . . . 0.0 110.876 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.67 82.81 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.586 0.755 . . . . 0.0 113.026 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 ttp -74.64 -33.7 62.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.104 1.361 . . . . 0.0 113.25 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -62.93 -39.17 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 110.091 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -74.5 50.39 0.42 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.041 1.737 . . . . 0.0 113.971 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -49.75 -24.71 2.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.092 2.157 . . . . 0.0 115.559 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -54.86 -31.55 59.72 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.755 1.161 . . . . 0.0 112.67 170.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.51 -27.69 58.86 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.092 -1.005 . . . . 0.0 113.167 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -76.09 -34.37 59.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.459 1.104 . . . . 0.0 110.913 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.44 -42.23 65.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.038 0.935 . . . . 0.0 112.434 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 C-N-CA 125.62 1.581 . . . . 0.0 113.315 178.18 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.85 73.11 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -44.9 99.9 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-O 117.532 -1.223 . . . . 0.0 114.19 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.51 -38.21 83.23 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 123.971 3.114 . . . . 0.0 114.652 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 tp -75.37 -40.64 57.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.164 0.893 . . . . 0.0 111.61 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.95 -36.82 82.55 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.414 1.085 . . . . 0.0 112.196 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -72.35 -31.33 65.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.439 170.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.09 -45.75 59.46 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.809 1.186 . . . . 0.0 112.207 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 pt -64.69 -34.72 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.206 -0.933 . . . . 0.0 110.755 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.01 -32.12 79.07 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.711 1.148 . . . . 0.0 112.838 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -49.66 63.78 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.55 1.14 . . . . 0.0 110.902 174.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.42 -40.75 83.32 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.808 0.843 . . . . 0.0 111.502 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.51 -45.88 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.541 0.609 . . . . 0.0 110.887 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.95 67.23 Favored Glycine 0 N--CA 1.47 0.903 0 C-N-CA 124.708 1.147 . . . . 0.0 113.997 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.48 -39.82 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.692 1.246 . . . . 0.0 112.113 171.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -71.34 -59.42 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.976 0.807 . . . . 0.0 112.176 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -72.53 -20.63 61.31 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -51.77 -38.79 56.95 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.221 1.408 . . . . 0.0 112.62 169.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -76.1 -22.13 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -76.26 -36.14 58.61 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.051 -1.031 . . . . 0.0 110.543 168.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.42 -14.34 48.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 126.208 1.861 . . . . 0.0 114.503 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.45 -37.84 79.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.547 1.139 . . . . 0.0 111.236 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -102.68 -18.93 14.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.389 1.476 . . . . 0.0 112.337 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.07 23.69 43.97 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.161 1.362 . . . . 0.0 113.003 -170.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -84.46 172.99 11.22 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.878 1.271 . . . . 0.0 113.245 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.38 -176.37 1.49 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.46 49.82 0.5 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.619 1.968 . . . . 0.0 114.407 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -147.49 139.78 24.48 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.887 1.675 . . . . 0.0 110.537 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.42 144.17 46.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.79 1.236 . . . . 0.0 110.904 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.9 p -77.83 160.75 28.13 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.021 -1.049 . . . . 0.0 110.233 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -59.28 -26.22 64.77 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.698 -1.251 . . . . 0.0 113.782 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -81.09 -37.77 28.4 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.044 -1.035 . . . . 0.0 113.073 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.86 -33.82 76.44 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.665 1.12 . . . . 0.0 110.943 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.68 -39.03 90.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.188 0.995 . . . . 0.0 110.553 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -59.21 -41.55 88.84 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.788 1.177 . . . . 0.0 111.608 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.89 -40.2 94.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.774 0.716 . . . . 0.0 111.998 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.35 -52.77 63.82 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.133 0.879 . . . . 0.0 110.511 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -60.64 -37.35 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.309 1.043 . . . . 0.0 112.58 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.69 -26.71 66.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.124 1.329 . . . . 0.0 112.554 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -85.08 -47.45 10.18 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.674 1.124 . . . . 0.0 111.628 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -73.87 -49.96 22.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.442 1.097 . . . . 0.0 111.772 -169.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.53 55.51 0.91 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.877 2.071 . . . . 0.0 111.06 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 121.666 0.746 . . . . 0.0 110.394 170.041 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.6 -28.18 69.71 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.094 -1.628 . . . . 0.0 113.185 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.75 70.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 0.0 113.121 170.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -80.99 -36.66 30.43 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.98 0.912 . . . . 0.0 110.692 170.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.75 -48.56 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.793 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.2 m -64.28 -26.65 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.336 1.426 . . . . 0.0 112.581 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.52 -38.61 59.27 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.554 1.07 . . . . 0.0 112.283 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -40.68 88.48 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 169.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 57.9 mtm -69.49 -31.69 70.1 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.55 -35.96 80.06 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.505 1.122 . . . . 0.0 111.971 170.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -71.38 -28.38 63.99 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.116 -0.99 . . . . 0.0 112.918 171.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.99 -48.17 46.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.133 0.973 . . . . 0.0 110.115 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.04 -31.67 72.86 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.169 1.788 . . . . 0.0 113.483 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -54.78 -22.03 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.362 1.465 . . . . 0.0 114.356 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.48 -18.61 61.09 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -141.24 -158.55 0.87 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.093 2.157 . . . . 0.0 111.395 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -101.73 -30.17 11.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.664 1.586 . . . . 0.0 114.205 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -173.56 -35.51 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.773 1.629 . . . . 0.0 112.966 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -107.31 125.62 51.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.625 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.62 119.33 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.801 2.04 . . . . 0.0 108.787 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -78.55 153.19 31.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.583 0.753 . . . . 0.0 111.617 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -47.46 -41.84 21.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.367 1.867 . . . . 0.0 115.07 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -64.03 -43.36 95.81 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.539 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -71.9 -34.9 69.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.757 0.708 . . . . 0.0 111.397 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.44 -42.95 93.09 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 170.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.78 -38.11 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.325 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.3 m -56.17 -41.77 76.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.187 1.358 . . . . 0.0 111.243 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -66.91 -38.46 86.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.23 -23.34 66.6 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.581 1.082 . . . . 0.0 112.272 170.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.16 96.41 Favored Glycine 0 N--CA 1.469 0.855 0 CA-C-N 119.514 1.052 . . . . 0.0 112.651 170.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.71 75.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 112.455 171.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tp -66.89 -38.5 86.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.605 0.762 . . . . 0.0 111.832 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.42 97.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.96 -1.088 . . . . 0.0 111.286 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.9 -35.94 77.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -35.05 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.689 1.131 . . . . 0.0 112.746 178.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -74.02 50.82 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.269 1.028 . . . . 0.0 111.784 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.39 -23.87 51.91 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.947 1.699 . . . . 0.0 114.385 -169.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -50.65 -37.31 40.0 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.967 1.307 . . . . 0.0 112.421 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.94 -27.77 61.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.477 1.111 . . . . 0.0 113.18 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.38 -39.33 39.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 110.259 172.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt . . . . . 0 N--CA 1.474 0.763 0 C-N-CA 124.536 1.135 . . . . 0.0 112.503 176.252 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -54.34 -35.51 62.8 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -170.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.29 -31.57 21.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.222 1.409 . . . . 0.0 113.419 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.1 -19.4 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.7 t -97.23 -36.81 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.573 1.549 . . . . 0.0 109.292 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.79 -36.41 83.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.47 1.508 . . . . 0.0 110.924 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -54.55 -33.56 60.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.559 1.143 . . . . 0.0 113.132 172.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.52 -20.94 66.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.153 -0.967 . . . . 0.0 113.013 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 58.2 mt -91.53 -41.97 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.398 1.479 . . . . 0.0 110.799 172.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -50.98 -43.38 60.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.978 0.911 . . . . 0.0 113.192 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.2 -1.18 48.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -110.16 -41.0 4.54 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.473 1.509 . . . . 0.0 113.482 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -124.11 132.32 8.29 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.795 1.188 . . . . 0.0 114.533 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -172.76 126.47 0.48 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.794 2.437 . . . . 0.0 109.99 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -164.42 -59.92 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.544 1.138 . . . . 0.0 112.654 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.29 -25.05 60.51 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 22.8 mmt -52.66 -47.89 66.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.898 0.879 . . . . 0.0 111.243 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -65.94 -19.46 65.87 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.778 1.231 . . . . 0.0 112.858 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -85.59 -47.22 10.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.139 1.376 . . . . 0.0 111.819 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 62.2 m -71.79 -49.78 35.7 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.311 1.444 . . . . 0.0 112.458 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.7 -34.19 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.835 0.743 . . . . 0.0 111.66 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -60.39 -28.85 68.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.198 0.999 . . . . 0.0 113.328 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -99.2 -38.08 9.04 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.53 66.8 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -171.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 37.2 m95 . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 124.747 1.219 . . . . 0.0 113.391 176.242 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -44.15 74.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.286 0.634 . . . . 0.0 112.546 -175.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -31.61 69.62 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.29 1.436 . . . . 0.0 113.42 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -81.29 -16.46 52.45 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.557 1.071 . . . . 0.0 113.328 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.0 t -87.79 -38.26 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.127 1.371 . . . . 0.0 109.738 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 38.4 mt -68.71 -32.5 72.34 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.765 1.626 . . . . 0.0 111.379 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.03 -45.4 79.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 112.127 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -77.09 -12.97 60.01 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 80.3 mt -87.18 -43.63 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.845 1.258 . . . . 0.0 110.967 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -54.36 -39.6 67.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.452 1.501 . . . . 0.0 113.102 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.27 -1.32 3.24 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.106 1.362 . . . . 0.0 114.642 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.15 -16.8 56.1 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.295 1.038 . . . . 0.0 113.0 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 112.56 -173.28 15.19 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.961 1.744 . . . . 0.0 114.607 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.14 162.27 25.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.606 1.962 . . . . 0.0 111.76 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -155.39 -61.79 0.11 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.786 1.235 . . . . 0.0 112.279 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.73 -26.81 67.45 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.58 -52.11 66.94 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.853 0.861 . . . . 0.0 109.86 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -60.02 -28.36 67.67 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.124 -0.985 . . . . 0.0 112.778 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -76.29 -25.89 55.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.775 0.716 . . . . 0.0 112.606 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 27.9 m -97.1 -47.2 5.87 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.302 1.441 . . . . 0.0 112.838 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.3 mm -54.3 -49.7 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.453 1.101 . . . . 0.0 111.317 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -53.58 -38.19 63.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.294 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.54 -25.4 64.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.412 1.085 . . . . 0.0 113.775 -176.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -90.46 -35.0 15.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.244 1.018 . . . . 0.0 111.393 169.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 125.417 1.487 . . . . 0.0 113.335 -169.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -40.2 -44.46 4.28 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -174.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -70.69 -30.5 17.88 Favored 'Trans proline' 0 C--N 1.356 0.97 0 CA-C-N 122.805 2.037 . . . . 0.0 113.477 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -82.02 -39.3 23.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.804 1.184 . . . . 0.0 111.666 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -56.93 -38.27 72.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.095 . . . . 0.0 112.558 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -67.03 -29.14 68.87 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.28 10.09 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.335 0.971 . . . . 0.0 112.789 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.252 10.6 pt -66.86 -26.51 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 120.812 -1.18 . . . . 0.0 111.588 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.85 -22.39 79.11 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.652 1.12 . . . . 0.0 113.272 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -51.05 56.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.285 1.542 . . . . 0.0 109.679 171.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -57.62 -41.52 81.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.102 0.961 . . . . 0.0 111.542 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.54 -45.98 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.274 0.943 . . . . 0.0 111.406 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -32.63 82.26 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.728 1.156 . . . . 0.0 112.719 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.08 -55.54 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 118.436 1.118 . . . . 0.0 110.294 169.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.1 -55.05 40.02 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.252 1.421 . . . . 0.0 114.563 -169.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.75 -22.25 66.05 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -168.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -55.73 -44.6 77.67 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.695 0.679 . . . . 0.0 111.681 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -81.58 -36.24 29.24 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.945 1.298 . . . . 0.0 112.52 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -61.58 -24.22 66.52 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.54 1.064 . . . . 0.0 113.704 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 14.12 65.71 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.594 1.569 . . . . 0.0 115.098 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm . . . . . 0 CA--C 1.542 0.637 0 CA-C-N 119.37 1.585 . . . . 0.0 110.982 173.08 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm . . . . . 0 CA--C 1.543 0.706 0 CA-C-O 121.575 0.703 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 30.03 4.47 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.943 2.097 . . . . 0.0 113.025 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -143.73 152.5 41.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.016 2.127 . . . . 0.0 111.29 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -116.13 134.04 55.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.083 1.753 . . . . 0.0 111.073 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.6 p -79.62 170.76 16.08 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.335 -0.853 . . . . 0.0 110.838 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -55.25 -49.87 70.92 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.338 -1.476 . . . . 0.0 113.299 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -70.01 -33.99 72.72 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.72 -33.71 74.4 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.241 1.416 . . . . 0.0 111.438 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -71.07 -44.17 66.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.852 1.261 . . . . 0.0 110.872 169.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -40.87 76.6 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.745 -1.222 . . . . 0.0 111.055 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.27 -51.58 68.77 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.727 1.211 . . . . 0.0 111.651 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.21 -48.28 62.07 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.09 1.314 . . . . 0.0 111.689 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.7 -50.01 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.484 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -69.92 -26.91 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -87.54 -49.41 7.2 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.39 -46.12 9.93 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.046 0.839 . . . . 0.0 112.027 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -105.44 36.27 2.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.275 1.43 . . . . 0.0 109.754 -171.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 C-N-CA 127.815 2.446 . . . . 0.0 115.535 -168.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.17 -27.05 65.31 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.315 -1.49 . . . . 0.0 113.037 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.1 69.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.321 . . . . 0.0 112.82 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.33 -31.96 37.99 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.658 0.783 . . . . 0.0 111.495 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.1 mm -67.07 -42.06 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.086 1.312 . . . . 0.0 111.965 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -65.56 -30.57 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.395 0.998 . . . . 0.0 111.443 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -76.6 -36.62 57.39 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.728 -0.608 . . . . 0.0 112.159 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.91 -42.13 98.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.158 0.89 . . . . 0.0 111.136 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -60.82 -37.76 83.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.137 0.975 . . . . 0.0 112.026 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.07 -31.22 67.58 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.103 0.961 . . . . 0.0 113.141 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -73.53 -32.65 64.33 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.951 1.3 . . . . 0.0 112.59 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.53 -43.61 80.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.568 1.547 . . . . 0.0 111.735 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.87 -18.21 64.73 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.067 1.347 . . . . 0.0 113.463 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -54.17 -27.4 33.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.785 1.634 . . . . 0.0 113.742 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -61.32 -30.29 70.4 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.563 1.145 . . . . 0.0 113.438 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -143.34 -132.15 0.09 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 110.783 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -168.78 97.2 0.38 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.869 2.068 . . . . 0.0 110.438 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 112.03 -14.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 131.252 3.821 . . . . 0.0 113.091 170.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -159.3 153.44 23.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.462 1.105 . . . . 0.0 112.43 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.6 t -127.2 112.15 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.388 1.875 . . . . 0.0 108.057 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -79.19 160.26 27.02 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.305 0.642 . . . . 0.0 110.672 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -49.17 -46.12 44.98 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -174.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -64.74 -36.7 85.13 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.196 -0.94 . . . . 0.0 112.244 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -71.59 -34.83 70.22 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.979 0.912 . . . . 0.0 111.842 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -61.73 -46.48 89.48 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.67 1.188 . . . . 0.0 111.204 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.4 mt -67.32 -35.59 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.334 -0.854 . . . . 0.0 111.782 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.2 m -61.14 -42.64 98.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 111.146 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.7 -39.87 91.69 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.104 0.865 . . . . 0.0 111.828 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.44 -22.94 67.11 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.048 0.84 . . . . 0.0 112.691 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.01 -36.47 60.77 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.267 0.937 . . . . 0.0 112.071 169.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.85 78.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 117.913 0.857 . . . . 0.0 111.062 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 tp -61.95 -39.52 92.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.687 1.195 . . . . 0.0 111.953 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.91 71.26 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.867 0.867 . . . . 0.0 112.436 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.8 ttm -74.31 -23.57 59.09 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -61.9 -29.37 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.35 0.977 . . . . 0.0 111.236 170.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.16 57.41 0.85 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.2 1.0 . . . . 0.0 111.63 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -50.76 -27.99 8.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.353 1.861 . . . . 0.0 115.284 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -68.66 -45.55 71.44 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.378 0.99 . . . . 0.0 111.767 174.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.78 74.31 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.252 1.021 . . . . 0.0 111.835 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -5.42 35.12 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.752 2.021 . . . . 0.0 113.748 173.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -117.38 -43.89 2.8 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.637 1.575 . . . . 0.0 112.627 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 CA-C-O 118.071 -1.405 . . . . 0.0 113.864 -179.521 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 111.235 0.087 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.68 -40.05 66.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -52.53 -43.83 93.11 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.44 -39.89 72.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.109 3.206 . . . . 0.0 114.365 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 40.7 tp -74.35 -43.41 56.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.339 0.972 . . . . 0.0 111.247 174.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.2 -41.68 93.51 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 0.0 111.103 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.5 -23.86 60.1 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.95 -42.03 58.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.48 1.037 . . . . 0.0 111.662 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 pt -67.9 -26.77 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.25 -0.906 . . . . 0.0 111.245 169.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.37 -22.7 74.88 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.871 1.224 . . . . 0.0 113.621 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.3 56.31 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.156 1.478 . . . . 0.0 110.51 171.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -56.88 -42.59 80.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.892 1.277 . . . . 0.0 112.098 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.4 mt -66.6 -47.25 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 118.303 0.502 . . . . 0.0 110.463 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.86 85.61 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.32 0.962 . . . . 0.0 114.1 -174.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.83 -44.08 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.588 1.194 . . . . 0.0 111.497 171.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -69.39 -50.11 49.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.711 0.687 . . . . 0.0 112.479 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -72.91 -24.02 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -61.4 -39.65 91.5 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.603 -0.686 . . . . 0.0 110.993 168.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.84 -41.93 20.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -60.96 -18.61 58.1 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.02 -7.13 86.6 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.979 -0.901 . . . . 0.0 114.604 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.06 -33.93 33.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.202 1.501 . . . . 0.0 113.512 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -158.89 -18.18 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.55 -171.99 31.17 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.113 1.34 . . . . 0.0 114.423 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.72 -162.94 1.0 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.056 1.342 . . . . 0.0 111.246 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -62.44 -23.25 66.77 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.754 -1.216 . . . . 0.0 114.21 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.97 19.36 1.12 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.481 1.513 . . . . 0.0 114.393 -172.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 78.7 p -127.34 158.09 38.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.949 1.3 . . . . 0.0 112.29 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -126.62 144.58 50.85 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.076 2.151 . . . . 0.0 108.96 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -77.1 158.88 30.21 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.597 1.09 . . . . 0.0 109.458 168.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -61.81 -30.52 70.88 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.674 -1.891 . . . . 0.0 112.826 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -42.89 60.55 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.525 -1.36 . . . . 0.0 112.171 173.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -62.6 -38.69 91.13 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.03 1.332 . . . . 0.0 111.265 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.52 -42.1 98.47 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.165 1.386 . . . . 0.0 111.927 169.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -54.47 -43.86 72.07 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.938 1.245 . . . . 0.0 110.726 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.54 -40.61 93.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.665 0.786 . . . . 0.0 112.455 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.49 -48.02 78.04 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.329 -0.844 . . . . 0.0 111.063 170.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.8 -42.35 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.841 1.2 . . . . 0.0 111.193 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -60.28 -34.2 73.41 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.111 1.323 . . . . 0.0 112.677 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -86.91 -24.81 24.7 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -84.95 -52.42 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.165 1.786 . . . . 0.0 111.417 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -117.7 74.28 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.906 2.483 . . . . 0.0 107.791 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 54.4 m . . . . . 0 N--CA 1.47 0.541 0 C-N-CA 124.617 1.167 . . . . 0.0 109.737 -175.77 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.69 -39.82 74.5 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.384 -1.448 . . . . 0.0 112.498 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.01 70.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 112.679 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -80.73 -31.68 35.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.731 0.812 . . . . 0.0 111.613 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -70.97 -39.94 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.999 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.0 m -66.32 -28.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.981 1.264 . . . . 0.0 111.836 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -70.35 -46.63 63.73 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.874 0.87 . . . . 0.0 111.445 169.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.98 -44.4 82.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.047 0.939 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -62.13 -41.19 98.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.799 1.639 . . . . 0.0 112.678 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -73.68 -30.54 62.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.918 0.781 . . . . 0.0 112.807 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.5 -25.53 60.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.139 0.976 . . . . 0.0 112.568 170.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.62 -43.42 55.56 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.23 169.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.39 -9.91 57.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.44 1.496 . . . . 0.0 114.338 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -58.42 -20.51 45.22 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.279 1.032 . . . . 0.0 112.735 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -66.25 -18.1 65.15 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.782 1.633 . . . . 0.0 113.732 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -151.72 -122.12 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.715 2.006 . . . . 0.0 110.603 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -163.22 19.59 0.08 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.274 1.429 . . . . 0.0 114.81 -175.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -176.01 -24.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.655 1.582 . . . . 0.0 113.542 -170.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -155.76 151.72 27.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.849 1.26 . . . . 0.0 112.036 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 44.1 t -119.33 122.47 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.936 2.095 . . . . 0.0 108.823 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -89.68 153.17 20.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.106 0.962 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.45 -42.91 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.42 -43.16 95.23 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.371 0.532 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.97 -34.25 73.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.2 . . . . 0.0 111.911 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -58.56 -39.93 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.583 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.33 -36.85 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 121.194 -0.941 . . . . 0.0 112.349 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -59.71 -37.03 77.73 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.063 1.301 . . . . 0.0 111.332 171.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -68.55 -41.06 80.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.684 0.793 . . . . 0.0 112.194 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.38 -30.59 71.7 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.212 0.914 . . . . 0.0 112.235 171.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.5 -25.04 69.85 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-O 118.392 -1.227 . . . . 0.0 113.188 170.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.02 -50.36 9.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.337 1.568 . . . . 0.0 110.56 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.36 -48.1 62.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.651 1.18 . . . . 0.0 111.505 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.53 61.19 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.495 1.118 . . . . 0.0 113.24 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 12.9 ttt -80.72 -42.39 21.99 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.753 1.221 . . . . 0.0 111.639 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.51 -24.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.053 1.741 . . . . 0.0 111.546 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -55.13 -29.12 57.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.178 0.991 . . . . 0.0 112.505 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.253 7.3 p30 51.43 -50.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 1 C-N-CA 133.031 4.532 . . . . 0.0 118.068 169.687 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.17 -28.82 67.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.499 1.12 . . . . 0.0 111.33 172.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.91 77.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.442 1.097 . . . . 0.0 113.014 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.6 mt -67.42 -49.17 64.93 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.592 0.633 . . . . 0.0 110.439 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 123.737 0.815 . . . . 0.0 112.836 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.957 -0.457 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.94 -29.97 68.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.637 1.175 . . . . 0.0 113.323 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 74.1 mtm -53.76 -30.24 43.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.808 1.243 . . . . 0.0 112.556 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -68.13 -17.94 64.5 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.08 -42.9 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.319 1.448 . . . . 0.0 109.284 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.3 -35.83 80.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.161 1.384 . . . . 0.0 112.074 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -67.7 -23.32 65.27 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.212 -0.93 . . . . 0.0 112.997 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -69.53 -23.61 63.61 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.974 -1.079 . . . . 0.0 112.999 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.48 -26.24 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.383 1.073 . . . . 0.0 111.107 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -53.9 -37.38 63.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.282 -0.886 . . . . 0.0 112.212 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.27 -2.96 58.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.178 1.791 . . . . 0.0 113.905 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -103.61 -28.82 11.49 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.629 1.571 . . . . 0.0 111.873 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -65.26 157.97 46.31 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.165 1.364 . . . . 0.0 113.078 173.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -91.17 162.29 14.72 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.132 1.373 . . . . 0.0 112.936 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.43 -14.95 32.37 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.217 1.407 . . . . 0.0 113.232 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -59.93 -27.36 66.71 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.587 1.155 . . . . 0.0 113.56 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 36.8 ttm -54.93 -53.71 52.15 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.914 0.886 . . . . 0.0 110.057 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -72.64 -24.48 61.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.522 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -36.32 83.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.435 1.471 . . . . 0.0 111.813 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 45.9 m -76.96 -44.89 29.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 112.348 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 82.1 mt -66.2 -45.36 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.017 0.371 . . . . 0.0 111.477 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 112.999 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -58.68 -49.79 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.997 -1.064 . . . . 0.0 112.142 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.612 0.765 . . . . 0.0 112.529 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 68.2 t90 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.722 1.209 . . . . 0.0 112.74 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.108 0 CA-C-O 119.322 -0.71 . . . . 0.0 114.254 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.2 -37.48 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.638 1.175 . . . . 0.0 112.221 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -55.65 -30.84 61.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.613 1.565 . . . . 0.0 113.133 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.01 -25.8 64.68 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.611 1.096 . . . . 0.0 112.913 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.23 -36.85 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.229 1.411 . . . . 0.0 109.781 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 58.0 mt -72.1 -24.55 61.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.934 1.693 . . . . 0.0 113.07 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.38 -29.43 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.13 -0.982 . . . . 0.0 112.319 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -64.82 -19.71 66.0 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.379 -0.826 . . . . 0.0 113.066 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.75 -45.67 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.419 1.488 . . . . 0.0 110.756 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -51.54 -41.95 61.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.596 1.158 . . . . 0.0 113.293 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.58 -5.33 56.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.767 1.227 . . . . 0.0 113.927 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -110.96 -38.94 4.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.666 1.586 . . . . 0.0 114.266 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.79 139.7 20.26 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 115.699 1.039 . . . . 0.0 115.699 -169.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -153.97 44.16 0.57 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.126 2.17 . . . . 0.0 109.854 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.38 -168.56 1.74 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.594 1.958 . . . . 0.0 114.728 -169.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.66 -24.56 57.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -61.62 -37.67 84.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.361 0.982 . . . . 0.0 111.119 173.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -65.42 -25.53 67.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.639 -1.288 . . . . 0.0 111.564 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -78.5 -42.6 29.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.531 1.133 . . . . 0.0 111.895 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 70.5 p -69.87 -38.38 76.39 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.682 1.128 . . . . 0.0 111.895 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 25.4 mm -61.79 -42.45 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.562 1.145 . . . . 0.0 111.86 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.45 -47.42 84.05 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.079 0.854 . . . . 0.0 111.247 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.87 -48.2 82.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.252 -0.905 . . . . 0.0 112.348 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.31 74.05 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.2 t90 . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 123.921 0.888 . . . . 0.0 111.602 177.525 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -40.9 -51.39 7.25 Favored Pre-proline 0 CA--C 1.547 0.837 0 N-CA-C 117.306 2.335 . . . . 0.0 117.306 -169.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.51 -34.65 14.94 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.707 1.605 . . . . 0.0 112.49 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.4 tp -75.86 -39.48 56.47 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.107 0.867 . . . . 0.0 111.46 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.6 -38.77 90.42 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.06 0.544 . . . . 0.0 110.874 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -69.61 -31.02 68.9 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.494 -0.754 . . . . 0.0 112.725 172.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.86 69.47 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.875 1.216 . . . . 0.0 112.545 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 pt -63.22 -30.43 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 118.931 0.787 . . . . 0.0 111.001 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -33.71 87.98 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.88 1.229 . . . . 0.0 113.255 172.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.99 62.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.225 1.012 . . . . 0.0 110.105 173.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.07 -39.56 78.83 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.488 1.115 . . . . 0.0 112.369 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.68 -52.14 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.549 1.068 . . . . 0.0 110.43 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.55 -31.93 71.08 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.471 -0.627 . . . . 0.0 113.389 -175.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -68.23 -37.49 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.309 1.054 . . . . 0.0 112.473 172.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -80.12 -50.82 9.78 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.777 0.717 . . . . 0.0 112.019 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -68.39 -26.74 65.71 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -62.83 -33.11 74.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.33 -0.856 . . . . 0.0 112.813 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -80.44 -37.54 31.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.187 0.995 . . . . 0.0 111.997 172.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.8 m -56.43 -43.16 79.14 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.254 0.934 . . . . 0.0 113.453 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.94 -5.99 54.59 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 119.06 -0.856 . . . . 0.0 115.072 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm . . . . . 0 CA--C 1.546 0.791 0 CA-C-N 119.099 1.45 . . . . 0.0 113.043 177.673 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttp . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.03 49.24 0.64 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.112 1.765 . . . . 0.0 112.417 -169.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -123.42 162.58 22.53 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.555 1.542 . . . . 0.0 111.096 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.4 mt -128.61 137.52 51.73 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.239 1.416 . . . . 0.0 109.639 169.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.9 p -77.73 164.53 25.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.74 -1.225 . . . . 0.0 109.246 169.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -56.86 -35.08 68.46 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.481 -1.387 . . . . 0.0 112.643 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.64 -43.6 72.31 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.942 -1.099 . . . . 0.0 112.836 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.92 -35.42 78.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.402 -0.811 . . . . 0.0 112.175 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.05 -40.23 78.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.027 1.731 . . . . 0.0 110.755 172.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -57.27 -46.53 82.99 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.613 -1.305 . . . . 0.0 111.31 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -60.12 -36.59 77.81 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.18 0.992 . . . . 0.0 112.217 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.51 -52.73 56.32 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 110.705 169.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.3 mt -57.3 -46.95 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.789 1.177 . . . . 0.0 112.064 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.02 -34.35 76.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.424 0.557 . . . . 0.0 112.416 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.38 7.2 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 176.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.92 -14.27 42.35 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.117 1.367 . . . . 0.0 114.119 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -120.13 43.78 2.6 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 167.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.476 0.872 1 C-N-CA 131.911 4.084 . . . . 0.0 114.707 -169.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.5 -26.31 68.47 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.165 -1.584 . . . . 0.0 114.139 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.9 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.466 1.106 . . . . 0.0 113.557 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -80.78 -38.11 29.08 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 109.516 169.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.7 mm -61.64 -42.4 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.018 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.8 m -64.32 -28.13 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.56 1.527 . . . . 0.0 112.867 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -74.6 -31.86 62.17 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.312 0.96 . . . . 0.0 113.084 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.95 -36.18 72.47 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.028 -1.045 . . . . 0.0 111.838 171.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 mtp -62.19 -39.38 92.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.929 1.292 . . . . 0.0 112.163 171.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.99 -32.98 73.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.837 0.855 . . . . 0.0 112.386 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.77 -33.64 52.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 112.784 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.56 -48.11 65.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -77.96 -7.16 56.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.906 0.882 . . . . 0.0 112.525 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -55.21 -28.83 55.86 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.622 1.101 . . . . 0.0 112.713 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -82.98 -2.96 56.58 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -143.81 -29.25 0.51 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 62.73 19.27 11.29 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.944 2.498 . . . . 0.0 113.546 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -148.62 -82.75 0.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.865 1.666 . . . . 0.0 109.528 -169.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -128.79 141.64 51.24 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.289 2.235 . . . . 0.0 108.42 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -79.88 106.79 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.91 1.284 . . . . 0.0 108.677 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -80.33 157.94 26.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 111.652 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.43 -42.61 87.66 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -169.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 -40.93 90.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.559 1.072 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -66.77 -36.32 82.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.235 1.414 . . . . 0.0 112.097 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.53 -42.16 87.14 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.81 0.844 . . . . 0.0 111.331 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.32 -40.55 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.237 -0.914 . . . . 0.0 111.686 177.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -54.49 -41.17 69.26 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.633 1.106 . . . . 0.0 111.536 170.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -39.33 76.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.31 -28.96 68.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.535 1.061 . . . . 0.0 111.696 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.8 -34.57 90.25 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.063 0.839 . . . . 0.0 113.42 169.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.57 -44.37 57.51 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.777 1.289 . . . . 0.0 111.834 170.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.15 -45.32 79.68 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.247 1.019 . . . . 0.0 110.903 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.87 69.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.053 1.341 . . . . 0.0 113.821 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.12 -34.26 43.54 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 112.661 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.08 -33.62 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.764 0.826 . . . . 0.0 110.679 171.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -70.91 43.92 0.08 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.352 1.461 . . . . 0.0 111.798 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -52.44 -22.29 4.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.016 2.526 . . . . 0.0 117.466 -168.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.73 -22.06 66.9 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 120.775 1.625 . . . . 0.0 112.825 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.57 -53.21 9.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.935 1.694 . . . . 0.0 111.774 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.2 tp -78.68 46.29 0.65 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.771 2.028 . . . . 0.0 111.911 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -153.58 -27.07 0.14 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.331 1.452 . . . . 0.0 113.208 -169.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.228 0 CA-C-O 117.638 -1.645 . . . . 0.0 113.215 177.225 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.19 77.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.05 -37.52 33.48 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -59.25 -39.17 80.71 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.046 2.498 . . . . 0.0 113.896 169.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -76.32 -40.91 50.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.952 0.796 . . . . 0.0 111.711 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.87 -37.42 84.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.12 1.368 . . . . 0.0 112.271 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -76.32 -20.86 56.86 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.83 -48.12 12.87 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.474 1.034 . . . . 0.0 112.045 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 pt -63.36 -32.33 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.088 -1.008 . . . . 0.0 110.65 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.84 70.28 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.789 1.185 . . . . 0.0 113.914 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -50.52 34.24 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.791 1.295 . . . . 0.0 110.015 171.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.31 -42.39 81.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.809 0.843 . . . . 0.0 111.251 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.28 -45.66 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 CA-C-N 118.816 0.734 . . . . 0.0 111.08 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.73 -33.5 86.15 Favored Glycine 0 N--CA 1.47 0.935 0 C-N-CA 124.523 1.059 . . . . 0.0 112.877 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mt -72.15 -57.39 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 117.893 0.847 . . . . 0.0 109.879 169.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.48 -51.11 68.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.467 0.707 . . . . 0.0 112.841 -173.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -70.81 -25.6 62.93 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -172.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.52 -41.77 99.06 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.442 -0.786 . . . . 0.0 111.363 169.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -81.33 -43.85 18.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.3 p -65.63 -26.14 67.69 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.098 1.772 . . . . 0.0 112.851 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.99 -2.54 58.25 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.828 1.204 . . . . 0.0 115.231 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.32 -40.17 81.76 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.936 1.368 . . . . 0.0 113.011 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -82.71 -22.48 34.48 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.87 -166.5 31.94 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.895 1.236 . . . . 0.0 113.224 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 103.28 1.25 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.313 1.045 . . . . 0.0 111.054 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -146.44 170.46 16.8 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.66 1.584 . . . . 0.0 113.292 -169.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -139.12 21.37 2.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.57 1.948 . . . . 0.0 112.977 172.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -143.31 141.05 30.85 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.268 2.227 . . . . 0.0 109.655 -173.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.3 131.58 39.78 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.668 1.187 . . . . 0.0 111.079 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.5 t -78.78 150.99 32.24 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.555 -0.715 . . . . 0.0 109.981 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -57.84 -34.66 69.94 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.22 -1.55 . . . . 0.0 114.136 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -74.62 -30.77 61.78 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.57 1.548 . . . . 0.0 113.496 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.33 -38.01 63.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.847 2.059 . . . . 0.0 109.852 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.23 -43.63 98.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.537 1.535 . . . . 0.0 109.719 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -62.38 -29.26 70.35 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.675 -1.266 . . . . 0.0 112.497 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -50.04 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.147 1.379 . . . . 0.0 110.916 169.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.17 -50.97 57.96 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.903 1.281 . . . . 0.0 111.049 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.4 -53.82 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.327 0.512 . . . . 0.0 111.349 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -65.86 -23.8 66.74 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -86.7 -51.35 6.17 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -86.69 -41.05 14.5 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.611 0.764 . . . . 0.0 112.847 -172.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.61 -41.22 10.33 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.575 0.75 . . . . 0.0 110.313 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 130.53 3.532 . . . . 0.0 112.276 177.341 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.76 -27.11 69.06 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.294 -0.879 . . . . 0.0 112.631 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.62 69.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.704 1.202 . . . . 0.0 112.751 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -81.54 -37.19 28.18 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.836 0.854 . . . . 0.0 111.361 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -61.35 -43.65 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.846 0.748 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.85 -26.93 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.945 0.793 . . . . 0.0 112.097 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -79.04 -34.68 43.6 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.134 0.879 . . . . 0.0 112.091 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -43.34 87.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.993 -1.067 . . . . 0.0 110.373 170.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -58.26 -40.95 83.17 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.362 1.065 . . . . 0.0 111.476 171.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.39 -34.66 78.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.703 1.201 . . . . 0.0 113.262 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.76 -18.36 59.57 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -81.44 -47.56 13.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 110.025 168.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.36 -12.36 20.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.175 2.19 . . . . 0.0 113.431 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.03 -25.08 65.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.575 1.95 . . . . 0.0 112.837 169.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -69.98 -40.08 75.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.872 0.869 . . . . 0.0 112.64 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.51 131.4 2.62 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.784 2.034 . . . . 0.0 109.57 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -68.97 29.27 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 -168.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -156.27 -51.93 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.008 -1.058 . . . . 0.0 110.978 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -138.97 135.91 34.84 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 110.334 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.15 119.08 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.303 2.241 . . . . 0.0 108.557 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -77.85 160.44 28.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 111.659 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.87 -47.07 68.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.716 1.206 . . . . 0.0 114.224 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.34 -30.95 70.91 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.512 -0.743 . . . . 0.0 112.373 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -74.32 -38.73 63.22 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.365 1.066 . . . . 0.0 110.859 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -59.98 -44.72 94.31 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -68.67 -34.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.266 -0.896 . . . . 0.0 112.289 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.7 m -62.24 -40.36 95.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.671 1.123 . . . . 0.0 111.089 173.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.29 -38.93 85.82 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.245 0.618 . . . . 0.0 112.156 172.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.59 -22.09 66.71 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.344 -0.847 . . . . 0.0 112.606 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.79 -38.23 92.89 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 119.871 1.214 . . . . 0.0 112.158 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -40.63 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.94 0.87 . . . . 0.0 111.677 169.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.54 -15.55 63.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.793 0.837 . . . . 0.0 113.105 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.62 -45.2 16.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.503 1.121 . . . . 0.0 109.379 168.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 ttm -67.34 -25.86 66.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.948 1.299 . . . . 0.0 113.892 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.97 -29.61 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.114 0.87 . . . . 0.0 112.385 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.34 53.06 0.81 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.72 1.608 . . . . 0.0 111.584 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -42.48 -36.75 1.41 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.9 2.88 . . . . 0.0 115.881 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.86 -27.33 62.8 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.249 0.932 . . . . 0.0 113.22 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.79 65.17 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.979 -1.076 . . . . 0.0 112.12 169.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.32 16.28 18.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.627 1.971 . . . . 0.0 112.111 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt . . . . . 0 N--CA 1.478 0.944 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 168.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.219 0 CA-C-O 118.806 -0.997 . . . . 0.0 114.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.13 -68.05 0.22 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.157 1.383 . . . . 0.0 111.038 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 26.2 mmt -59.47 -27.95 66.57 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.364 -0.835 . . . . 0.0 112.584 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -66.67 -18.91 65.62 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 55.1 t -96.65 -32.97 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.65 1.18 . . . . 0.0 109.923 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.71 -30.82 70.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.295 1.438 . . . . 0.0 111.894 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.63 -30.16 60.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.391 1.076 . . . . 0.0 112.862 172.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -65.28 -22.8 66.89 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.187 -0.946 . . . . 0.0 113.084 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 54.5 mt -87.9 -43.52 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.008 1.323 . . . . 0.0 110.522 169.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -50.73 -42.24 57.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.262 1.025 . . . . 0.0 113.561 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.68 -10.06 59.35 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -110.45 14.02 22.64 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.181 2.192 . . . . 0.0 112.054 172.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -60.97 151.06 42.36 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.363 1.459 . . . . 0.0 116.513 -169.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.83 161.36 21.19 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.699 2.399 . . . . 0.0 115.401 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -112.89 -2.23 14.38 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.891 2.077 . . . . 0.0 113.756 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -91.39 -28.44 17.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.878 1.217 . . . . 0.0 113.294 170.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 39.1 ttm -50.23 -48.58 54.46 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.298 1.439 . . . . 0.0 111.386 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -56.38 -37.16 69.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.709 0.804 . . . . 0.0 112.936 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -74.1 -37.83 64.04 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.774 0.83 . . . . 0.0 111.096 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 92.9 m -73.73 -37.27 65.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.884 1.273 . . . . 0.0 111.877 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.03 -47.53 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.894 0.878 . . . . 0.0 110.429 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.16 -37.8 84.18 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 122.001 -0.437 . . . . 0.0 112.012 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -63.96 -57.18 10.51 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.685 0.794 . . . . 0.0 111.966 170.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -51.31 -25.66 6.25 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.488 1.915 . . . . 0.0 114.255 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 125.413 1.485 . . . . 0.0 112.931 175.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.223 0 N-CA-C 115.074 0.79 . . . . 0.0 115.074 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 pp -52.72 -40.5 63.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.378 1.471 . . . . 0.0 113.977 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -26.42 49.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.928 1.291 . . . . 0.0 113.598 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -71.37 -17.29 62.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.101 0.96 . . . . 0.0 113.51 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 52.3 t -97.3 -38.54 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.121 1.368 . . . . 0.0 109.528 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.52 -35.28 79.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.053 1.341 . . . . 0.0 111.769 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -55.78 -34.3 65.14 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.345 1.058 . . . . 0.0 112.496 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.43 -15.2 63.54 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 21.7 mm -90.86 -46.85 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 110.244 169.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.81 -38.44 67.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.75 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -1.17 9.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -174.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.56 -22.58 63.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.499 1.12 . . . . 0.0 113.07 170.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 127.83 159.74 10.18 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.956 1.741 . . . . 0.0 113.23 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.66 27.48 0.44 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.079 1.352 . . . . 0.0 113.619 -170.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.9 -50.71 65.45 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.063 -1.023 . . . . 0.0 112.014 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.6 -26.29 68.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.379 1.071 . . . . 0.0 113.407 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 46.9 tpp -58.46 -46.8 85.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.449 1.1 . . . . 0.0 110.586 172.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.7 -29.6 65.94 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.426 -0.796 . . . . 0.0 112.605 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.37 -30.52 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.239 1.382 . . . . 0.0 112.506 172.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 87.4 m -73.11 -49.91 25.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.497 1.519 . . . . 0.0 110.863 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 68.8 mt -75.64 -41.83 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.23 -172.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -53.05 -44.44 67.44 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.166 1.348 . . . . 0.0 112.558 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -69.59 -11.8 61.13 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.67 10.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.25 1.02 . . . . 0.0 110.612 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.0 t90 . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 125.349 1.46 . . . . 0.0 112.273 -178.162 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -58.03 -31.42 10.07 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -175.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.61 -43.21 28.09 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.574 2.183 . . . . 0.0 113.021 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.75 -45.14 53.77 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 118.797 0.726 . . . . 0.0 111.385 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -63.3 -33.37 75.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.604 0.761 . . . . 0.0 112.386 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.55 -34.89 60.76 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.562 -0.711 . . . . 0.0 112.351 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.82 78.69 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.375 0.989 . . . . 0.0 112.108 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt -66.51 -25.92 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.319 -0.863 . . . . 0.0 111.817 172.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.43 82.11 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.753 1.168 . . . . 0.0 113.4 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -50.74 71.89 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.143 1.377 . . . . 0.0 109.841 175.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.02 -39.56 86.27 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.393 1.077 . . . . 0.0 112.233 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -64.82 -44.13 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.216 1.371 . . . . 0.0 110.862 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.53 -26.38 71.88 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 119.566 -0.574 . . . . 0.0 113.478 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.9 mt -73.24 -47.58 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.528 1.164 . . . . 0.0 110.831 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -59.01 3.1 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.295 1.038 . . . . 0.0 112.574 -174.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -68.2 -20.66 64.87 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.8 -45.41 74.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.776 1.23 . . . . 0.0 111.483 169.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.07 -40.26 20.11 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -67.7 -53.08 30.49 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.036 0.834 . . . . 0.0 111.802 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.05 46.64 2.67 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.922 1.725 . . . . 0.0 111.369 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 N--CA 1.472 0.668 0 CA-C-N 118.09 0.945 . . . . 0.0 113.002 178.893 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 tttt . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -74.29 51.69 0.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.395 2.278 . . . . 0.0 114.705 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.1 t -142.77 150.95 40.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.113 1.365 . . . . 0.0 111.51 174.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.19 132.73 56.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.111 1.764 . . . . 0.0 110.045 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -77.88 163.3 26.16 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 168.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -54.86 -28.65 51.61 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.485 -1.384 . . . . 0.0 114.2 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -80.87 -42.45 21.49 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 170.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.41 -34.68 77.23 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.294 1.406 . . . . 0.0 111.333 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.33 -48.62 80.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.121 1.768 . . . . 0.0 110.954 170.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -61.5 -35.82 78.75 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.974 -1.079 . . . . 0.0 112.714 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -63.1 -40.21 96.99 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.716 1.144 . . . . 0.0 111.463 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.1 -53.84 53.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.668 0.667 . . . . 0.0 110.52 170.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.15 -42.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 118.519 0.6 . . . . 0.0 111.897 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.74 -33.7 76.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -86.4 -33.72 20.39 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.68 1.127 . . . . 0.0 113.594 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -83.91 -49.24 9.19 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.172 0.589 . . . . 0.0 112.109 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.4 mt -113.39 38.82 2.77 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.244 1.818 . . . . 0.0 110.461 -173.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 127.693 2.397 . . . . 0.0 113.995 -169.723 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.05 -25.99 59.59 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.685 -1.26 . . . . 0.0 112.066 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.07 68.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.024 1.33 . . . . 0.0 113.118 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.49 -35.41 34.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.967 0.907 . . . . 0.0 111.15 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -67.72 -39.04 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.966 0.803 . . . . 0.0 111.573 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 m -65.9 -29.97 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.575 1.08 . . . . 0.0 111.72 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.23 -37.31 61.14 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.274 -0.891 . . . . 0.0 111.946 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 tp -63.76 -41.29 98.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.662 0.664 . . . . 0.0 111.069 173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.31 -38.28 79.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.137 0.975 . . . . 0.0 112.042 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.32 -38.0 89.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.657 1.117 . . . . 0.0 112.761 172.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -72.9 -24.65 60.86 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.233 0.924 . . . . 0.0 113.185 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.51 -47.45 22.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.964 1.706 . . . . 0.0 111.943 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -21.89 63.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.811 2.045 . . . . 0.0 112.956 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -52.11 -34.95 46.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.6 1.56 . . . . 0.0 112.712 170.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.64 -35.84 65.34 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.874 0.869 . . . . 0.0 112.163 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -166.41 129.57 1.97 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.561 1.944 . . . . 0.0 110.436 171.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.86 137.74 43.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.246 1.019 . . . . 0.0 113.105 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 76.88 -43.36 0.44 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.362 3.065 . . . . 0.0 112.837 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -133.58 117.15 16.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.985 1.714 . . . . 0.0 110.079 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.2 t -101.33 104.62 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.332 1.853 . . . . 0.0 108.688 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -78.79 164.87 24.17 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.853 0.835 . . . . 0.0 110.616 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -32.44 68.94 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -170.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -61.2 -49.52 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 119.015 -0.516 . . . . 0.0 111.111 174.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -69.32 -34.34 74.51 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.217 1.007 . . . . 0.0 112.161 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.23 -46.42 89.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.982 0.513 . . . . 0.0 111.592 173.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -74.03 -31.05 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.222 -0.924 . . . . 0.0 111.565 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -58.37 -44.74 89.0 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.023 0.829 . . . . 0.0 110.732 171.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.11 -37.9 88.94 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.472 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.07 -29.01 69.86 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 174.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.91 84.4 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 118.633 0.651 . . . . 0.0 112.298 170.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.22 88.9 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 117.831 0.815 . . . . 0.0 112.712 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.02 -43.89 97.49 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.77 1.628 . . . . 0.0 111.138 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.58 75.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.693 0.797 . . . . 0.0 112.084 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.1 mtp -68.1 -18.5 64.67 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.84 -37.39 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.222 1.374 . . . . 0.0 110.138 169.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -78.97 51.66 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.652 1.581 . . . . 0.0 113.007 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -43.91 -38.58 3.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.08 2.152 . . . . 0.0 115.644 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.93 -29.82 70.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.26 0.937 . . . . 0.0 113.262 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.92 78.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.377 1.471 . . . . 0.0 112.397 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -67.22 -50.07 62.16 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.607 1.163 . . . . 0.0 111.111 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -84.5 -25.05 29.11 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 C-N-CA 126.056 1.789 . . . . 0.0 114.511 175.836 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.516 0.198 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.18 55.13 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.79 1.636 . . . . 0.0 114.52 -173.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -47.27 88.92 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.316 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -53.02 -38.95 80.79 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.932 3.088 . . . . 0.0 114.632 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -73.63 -42.76 61.01 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.455 1.025 . . . . 0.0 111.842 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.84 -40.16 87.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.354 1.462 . . . . 0.0 112.433 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -73.74 -18.8 60.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -50.05 10.85 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 111.62 172.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.2 pt -65.59 -29.24 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 O-C-N 121.019 -1.051 . . . . 0.0 111.738 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.754 1.169 . . . . 0.0 113.32 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.87 66.93 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.797 1.298 . . . . 0.0 109.744 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -40.26 84.63 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.419 1.088 . . . . 0.0 111.279 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.34 -49.22 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.692 0.797 . . . . 0.0 111.433 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.3 73.31 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.208 0.909 . . . . 0.0 113.635 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.11 -50.27 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.67 1.188 . . . . 0.0 111.448 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -70.17 -55.9 8.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.844 1.202 . . . . 0.0 113.201 -171.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -68.37 -22.25 64.66 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.25 -41.87 76.46 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.709 1.603 . . . . 0.0 112.418 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -80.97 -31.18 34.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.412 1.085 . . . . 0.0 112.652 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.8 m -58.91 -45.85 89.3 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.901 -1.125 . . . . 0.0 112.319 173.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.3 -13.06 61.93 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.092 0.854 . . . . 0.0 114.197 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -72.58 -32.52 66.07 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.65 1.225 . . . . 0.0 112.595 176.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -104.28 -8.31 19.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.684 1.194 . . . . 0.0 113.13 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.59 17.24 34.08 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.975 1.274 . . . . 0.0 114.25 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -79.97 146.32 32.12 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.611 1.164 . . . . 0.0 112.177 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -75.87 -39.61 56.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.157 0.983 . . . . 0.0 112.907 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -167.79 39.07 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.507 1.923 . . . . 0.0 112.979 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -140.73 154.84 46.49 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.541 1.936 . . . . 0.0 109.75 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.4 143.05 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.338 1.455 . . . . 0.0 110.053 169.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.9 p -77.02 159.85 29.58 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.385 -0.822 . . . . 0.0 109.928 169.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -55.49 -31.5 62.07 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.548 -1.345 . . . . 0.0 113.266 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 tmpt? -76.64 -42.73 40.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.511 1.124 . . . . 0.0 112.472 173.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -70.48 -31.91 69.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.911 -1.118 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.35 -51.77 67.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.612 1.565 . . . . 0.0 111.088 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.081 -1.012 . . . . 0.0 112.058 176.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.1 -44.55 95.38 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.995 0.816 . . . . 0.0 112.029 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.81 -49.03 76.59 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.011 0.823 . . . . 0.0 110.69 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.07 -50.28 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.07 0.85 . . . . 0.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -59.42 -39.72 84.41 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 112.344 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -85.86 -38.42 18.11 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -84.88 -47.82 9.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.328 0.967 . . . . 0.0 112.5 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.5 mt -87.38 55.9 3.72 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 130.584 3.554 . . . . 0.0 113.298 -169.18 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.37 -25.22 67.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.41 68.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.559 0.744 . . . . 0.0 112.336 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.73 -37.22 30.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.618 0.767 . . . . 0.0 110.664 170.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.2 mm -65.43 -38.99 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-O 117.825 -1.083 . . . . 0.0 112.025 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -66.55 -28.51 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 120.416 1.462 . . . . 0.0 112.413 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -74.45 -33.97 63.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.316 0.962 . . . . 0.0 112.478 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.78 -37.3 76.31 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.032 -1.043 . . . . 0.0 111.903 171.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -61.44 -40.48 94.62 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.367 1.067 . . . . 0.0 111.577 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.46 -34.13 77.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.5 1.12 . . . . 0.0 112.587 172.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.83 -17.96 52.01 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.149 -0.969 . . . . 0.0 113.395 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -80.65 -42.69 21.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.091 1.356 . . . . 0.0 110.209 169.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.49 -30.09 69.49 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.186 1.794 . . . . 0.0 112.533 169.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.01 -29.78 70.51 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.799 1.24 . . . . 0.0 111.81 171.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -81.49 -28.17 34.2 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.71 123.16 3.64 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.452 1.501 . . . . 0.0 112.636 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.79 132.93 49.09 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.396 1.478 . . . . 0.0 114.276 -171.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 76.77 -37.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 129.563 3.145 . . . . 0.0 113.548 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -153.85 128.72 9.49 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.873 1.669 . . . . 0.0 109.994 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.33 118.14 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.085 1.754 . . . . 0.0 109.368 -170.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.35 151.66 30.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.849 1.26 . . . . 0.0 110.855 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -51.32 -39.98 58.09 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -62.02 -43.95 97.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 111.548 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -72.97 -29.53 63.14 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.765 1.226 . . . . 0.0 111.58 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -64.78 -46.14 83.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.987 0.915 . . . . 0.0 110.824 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.39 -35.61 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.203 -0.935 . . . . 0.0 111.912 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.8 m -58.94 -45.53 90.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.571 1.149 . . . . 0.0 110.409 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -64.02 -42.14 97.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.264 0.626 . . . . 0.0 112.26 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.12 -26.23 68.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.378 0.99 . . . . 0.0 112.453 173.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.16 94.49 Favored Glycine 0 N--CA 1.468 0.827 0 C-N-CA 124.324 0.964 . . . . 0.0 112.316 170.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.2 95.1 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 117.943 0.872 . . . . 0.0 112.021 170.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.4 -44.65 92.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.214 1.006 . . . . 0.0 111.697 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.2 96.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.185 0.994 . . . . 0.0 111.754 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.2 ttp -66.74 -31.7 72.52 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.16 -21.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.873 0.869 . . . . 0.0 112.446 171.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -75.87 43.63 0.28 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.259 0.936 . . . . 0.0 112.602 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -44.94 -26.81 0.46 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.933 2.493 . . . . 0.0 116.503 -173.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.99 -32.7 68.14 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 121.428 1.922 . . . . 0.0 112.896 173.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.3 -16.94 62.48 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.302 1.441 . . . . 0.0 113.607 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 73.0 mt -101.57 -10.86 19.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.156 2.182 . . . . 0.0 112.648 176.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt . . . . . 0 N--CA 1.473 0.683 0 C-N-CA 125.117 1.367 . . . . 0.0 112.285 174.828 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.199 0 CA-C-O 119.126 -0.819 . . . . 0.0 115.123 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.99 -33.56 62.66 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.069 1.348 . . . . 0.0 112.601 174.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.32 4.54 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 125.275 1.43 . . . . 0.0 113.734 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -76.18 -13.29 60.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.515 1.052 . . . . 0.0 113.838 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.45 -30.81 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.508 1.523 . . . . 0.0 109.609 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.73 -33.62 60.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.048 2.139 . . . . 0.0 111.273 171.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.95 -34.49 55.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.83 1.652 . . . . 0.0 112.363 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -52.72 -33.7 49.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.539 1.136 . . . . 0.0 112.433 175.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.98 -35.66 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.26 1.824 . . . . 0.0 111.877 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.84 -40.18 83.45 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.941 -1.099 . . . . 0.0 112.156 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -76.06 -1.24 24.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -92.01 -47.18 7.42 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.78 0.832 . . . . 0.0 110.786 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 67.62 -169.98 36.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.166 1.365 . . . . 0.0 114.376 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -165.33 149.73 8.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.822 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -83.12 -27.14 30.37 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.21 1.404 . . . . 0.0 114.376 -175.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.65 -21.52 19.98 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.309 0.959 . . . . 0.0 113.532 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 44.7 ttm -50.25 -62.95 1.28 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.61 1.164 . . . . 0.0 110.775 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -57.39 -32.52 66.9 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.671 1.189 . . . . 0.0 113.753 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -71.76 -38.31 70.39 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.769 0.827 . . . . 0.0 111.676 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 51.2 m -82.34 -34.48 28.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.235 1.414 . . . . 0.0 112.829 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.68 -47.54 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.0 0.818 . . . . 0.0 109.101 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.43 -48.95 78.84 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -63.04 -39.31 94.37 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.752 -1.218 . . . . 0.0 112.227 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.63 -31.07 71.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.685 1.194 . . . . 0.0 113.535 174.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 6.4 m95 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 123.627 0.771 . . . . 0.0 111.527 169.592 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 N-CA-C 115.465 0.946 . . . . 0.0 115.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.49 -48.4 77.22 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 1.141 . . . . 0.0 111.914 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -62.47 -29.15 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.939 1.295 . . . . 0.0 113.105 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -71.63 -18.12 62.22 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.18 -44.3 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.125 1.37 . . . . 0.0 110.01 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.52 -32.89 74.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.021 1.328 . . . . 0.0 112.646 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -64.41 -25.77 68.16 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.177 -0.952 . . . . 0.0 112.958 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -67.35 -19.08 65.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.71 0.804 . . . . 0.0 112.92 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.0 mt -86.77 -46.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.631 1.172 . . . . 0.0 110.073 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.94 -38.26 72.67 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.77 -1.54 9.51 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.54 -19.16 60.98 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.368 1.067 . . . . 0.0 112.962 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 123.39 168.55 13.06 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.312 1.91 . . . . 0.0 113.511 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -160.42 131.75 5.78 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.43 1.492 . . . . 0.0 111.628 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -154.66 -38.48 0.09 Allowed 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -71.92 -25.79 62.04 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.537 1.517 . . . . 0.0 113.662 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 13.7 mmt -55.31 -43.77 75.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.118 0.961 . . . . 0.0 109.663 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -75.28 -17.85 60.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.729 1.612 . . . . 0.0 112.108 -173.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -83.05 -45.24 14.26 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.799 0.84 . . . . 0.0 110.685 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 62.0 m -65.72 -51.56 58.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.908 1.683 . . . . 0.0 111.722 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.11 -35.95 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.337 1.055 . . . . 0.0 110.662 -172.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -57.24 -54.41 47.1 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.632 0.651 . . . . 0.0 111.254 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -63.33 -40.37 97.13 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.203 0.91 . . . . 0.0 111.929 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.79 -30.77 71.83 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.2 m95 . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 123.587 0.755 . . . . 0.0 112.284 169.892 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -54.87 -46.93 99.42 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.14 -29.63 39.31 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.948 1.766 . . . . 0.0 113.417 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.8 -43.96 43.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.12 1.327 . . . . 0.0 111.279 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.77 -35.35 80.32 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.477 1.111 . . . . 0.0 111.954 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.36 -33.07 69.23 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 119.158 -0.448 . . . . 0.0 112.159 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.79 59.59 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.87 1.214 . . . . 0.0 112.597 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.5 pt -64.36 -33.65 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.109 0.868 . . . . 0.0 111.091 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -27.15 72.66 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.744 1.164 . . . . 0.0 113.468 173.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -52.82 56.59 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.965 1.306 . . . . 0.0 109.994 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.03 -41.25 91.82 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.146 0.979 . . . . 0.0 111.891 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.78 -42.68 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.268 0.486 . . . . 0.0 110.274 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.03 -37.57 73.57 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.35 0.976 . . . . 0.0 113.116 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mt -64.78 -39.67 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.679 0.792 . . . . 0.0 111.522 172.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.01 -58.75 3.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.601 1.16 . . . . 0.0 113.219 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.23 -23.21 64.78 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -66.48 -28.5 68.63 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -81.1 -38.88 26.55 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.251 1.02 . . . . 0.0 113.407 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -58.44 -14.61 8.14 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 -172.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.54 -8.23 86.42 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.778 -1.012 . . . . 0.0 114.835 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt . . . . . 0 CA--C 1.543 0.707 0 CA-C-N 119.488 1.644 . . . . 0.0 112.387 177.355 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -140.58 21.19 2.36 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 t -151.93 143.65 23.63 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.21 -0.931 . . . . 0.0 113.038 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.61 151.67 24.06 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.453 1.901 . . . . 0.0 110.756 172.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -79.64 159.1 26.88 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 109.21 167.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -61.73 -35.1 77.1 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 119.825 -1.797 . . . . 0.0 112.851 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.78 -38.71 64.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.958 1.303 . . . . 0.0 112.616 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.46 -40.85 96.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.705 1.202 . . . . 0.0 110.946 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.08 -42.87 99.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.222 1.409 . . . . 0.0 110.495 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -58.15 -34.2 70.01 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.382 -1.449 . . . . 0.0 111.73 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -72.22 -37.93 69.1 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.379 1.071 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.0 -53.53 54.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.985 0.914 . . . . 0.0 109.625 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -58.71 -48.34 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.427 0.691 . . . . 0.0 112.002 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.91 -31.68 72.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.566 -0.73 . . . . 0.0 112.371 -175.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.9 -45.9 11.08 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.446 1.021 . . . . 0.0 113.273 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.56 -47.96 10.04 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.084 0.553 . . . . 0.0 111.746 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -84.62 -49.49 8.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.162 -0.923 . . . . 0.0 109.564 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.26 0 C-N-CA 130.844 3.658 . . . . 0.0 112.509 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.78 -33.01 72.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.784 -1.197 . . . . 0.0 112.579 -172.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.27 68.16 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.398 1.479 . . . . 0.0 112.979 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -80.6 -38.12 29.95 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.383 1.073 . . . . 0.0 110.883 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.84 -40.07 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.236 -0.915 . . . . 0.0 112.006 176.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.4 ' HA ' ' HG2' ' A' ' 57' ' ' MET . 30.0 m -66.12 -28.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.031 0.832 . . . . 0.0 112.664 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.53 -38.01 59.66 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.27 0.486 . . . . 0.0 111.84 169.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.43 -47.22 84.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.337 -0.852 . . . . 0.0 111.361 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 14.7 ptt? -67.93 -30.05 69.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.541 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.37 -33.13 71.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.421 1.088 . . . . 0.0 112.588 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -72.39 -26.52 61.91 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.254 1.022 . . . . 0.0 112.355 172.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.83 -42.3 24.6 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.298 1.439 . . . . 0.0 112.225 170.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.91 -4.4 12.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.175 2.19 . . . . 0.0 113.022 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -57.06 -19.47 19.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.245 1.418 . . . . 0.0 113.016 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.39 -45.04 84.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.196 0.999 . . . . 0.0 113.055 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -174.59 141.28 0.65 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.616 2.766 . . . . 0.0 109.655 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -52.92 -0.14 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.996 2.918 . . . . 0.0 118.365 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -125.98 -10.48 6.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.892 1.677 . . . . 0.0 114.025 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -160.18 159.35 31.51 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -169.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.9 t -116.88 100.3 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 127.291 2.236 . . . . 0.0 107.618 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.82 147.29 35.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.13 0.572 . . . . 0.0 111.475 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -53.06 -42.78 66.14 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.653 1.181 . . . . 0.0 114.008 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.16 -39.07 93.61 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.67 0.668 . . . . 0.0 111.723 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.97 -39.26 72.63 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.601 0.76 . . . . 0.0 111.223 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -58.66 -44.58 90.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.352 1.061 . . . . 0.0 112.049 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.3 mm -65.59 -44.54 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.106 0.866 . . . . 0.0 111.19 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.9 m -57.97 -43.81 86.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.152 0.981 . . . . 0.0 111.305 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -67.76 -36.5 80.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.05 1.74 . . . . 0.0 112.686 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.97 -27.36 68.09 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.907 0.776 . . . . 0.0 111.495 169.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.23 -33.4 68.92 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.629 1.109 . . . . 0.0 112.205 169.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.79 76.32 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.104 0.952 . . . . 0.0 111.354 171.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.95 -47.19 78.05 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.148 0.886 . . . . 0.0 110.884 170.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.63 80.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.348 1.059 . . . . 0.0 113.433 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -70.6 -39.03 74.03 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.811 1.244 . . . . 0.0 112.403 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.29 -31.3 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.918 1.287 . . . . 0.0 111.044 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -76.26 45.35 0.37 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.005 1.722 . . . . 0.0 110.799 169.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.49 -20.62 8.06 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 117.726 2.491 . . . . 0.0 117.726 -168.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.73 -25.86 68.4 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.827 2.103 . . . . 0.0 112.065 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.03 -23.07 66.48 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.175 0.99 . . . . 0.0 113.506 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -97.21 1.37 49.67 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.203 1.801 . . . . 0.0 112.037 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -100.82 17.43 22.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.526 1.53 . . . . 0.0 113.041 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 C-N-CA 125.965 1.745 . . . . 0.0 114.613 177.772 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.13 46.85 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -50.25 -41.75 68.23 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -171.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.37 -33.05 71.4 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.332 2.688 . . . . 0.0 113.143 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.4 tp -76.6 -42.99 40.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.36 0.527 . . . . 0.0 110.507 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -59.28 -40.27 85.56 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.949 . . . . 0.0 112.323 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -72.97 -24.31 60.76 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.52 -46.13 17.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.335 0.97 . . . . 0.0 112.189 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -62.33 -34.91 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.524 1.056 . . . . 0.0 110.348 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -23.97 68.67 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 125.39 1.471 . . . . 0.0 114.112 172.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -52.07 29.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.353 1.077 . . . . 0.0 110.224 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.81 -41.92 87.93 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.457 1.103 . . . . 0.0 111.585 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.33 -42.65 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.666 0.667 . . . . 0.0 110.648 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.86 -45.66 81.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.96 0.791 . . . . 0.0 113.028 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -60.41 -45.6 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.194 0.998 . . . . 0.0 111.261 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.97 -52.17 38.98 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.66 0.784 . . . . 0.0 112.373 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -72.04 -26.34 62.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.72 -38.79 67.51 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.791 0.836 . . . . 0.0 111.045 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -83.58 -43.79 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.5 p -67.59 -37.1 82.09 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.739 1.608 . . . . 0.0 112.687 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.7 0.66 89.25 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.839 1.209 . . . . 0.0 114.151 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -32.47 74.19 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.418 1.609 . . . . 0.0 113.435 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.81 4.13 42.62 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.696 1.198 . . . . 0.0 112.947 172.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 15.41 76.96 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.696 1.141 . . . . 0.0 114.51 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.38 -159.4 0.48 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -76.23 -175.54 3.22 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.668 1.987 . . . . 0.0 112.922 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -76.55 49.57 0.62 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.084 1.754 . . . . 0.0 112.454 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -137.82 153.75 49.6 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.976 1.71 . . . . 0.0 111.588 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -126.4 142.09 51.66 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.785 1.234 . . . . 0.0 110.733 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.1 p -79.27 159.67 27.16 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.374 -0.829 . . . . 0.0 109.171 168.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.27 -27.46 67.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.403 -1.435 . . . . 0.0 113.103 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -76.55 -42.12 44.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.151 1.38 . . . . 0.0 113.076 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.13 -32.87 72.55 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.92 -1.112 . . . . 0.0 111.53 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.41 -44.73 95.73 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.469 1.108 . . . . 0.0 109.929 169.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -58.48 -35.97 73.03 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.191 -0.943 . . . . 0.0 111.845 173.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.71 -43.51 88.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.726 0.81 . . . . 0.0 111.95 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.6 -52.53 61.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.298 1.039 . . . . 0.0 110.432 169.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -65.38 -46.4 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 118.606 -0.711 . . . . 0.0 112.451 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.18 -12.15 61.05 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.886 1.221 . . . . 0.0 112.899 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -85.56 -53.53 5.12 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.778 1.172 . . . . 0.0 111.2 169.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -78.77 -48.78 14.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.04 0.536 . . . . 0.0 112.423 -173.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.3 34.73 2.1 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.222 1.809 . . . . 0.0 110.204 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.469 0.521 0 C-N-CA 127.037 2.135 . . . . 0.0 112.521 -174.71 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -21.71 66.45 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.204 -1.56 . . . . 0.0 113.047 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.22 -30.67 71.26 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.842 1.257 . . . . 0.0 112.351 169.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.72 -29.83 32.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.229 1.012 . . . . 0.0 110.873 171.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.5 mm -70.41 -39.0 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.103 -0.998 . . . . 0.0 111.943 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.98 -23.57 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.303 0.956 . . . . 0.0 112.359 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -78.39 -40.47 36.0 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.189 169.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.45 -46.31 80.41 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.715 1.143 . . . . 0.0 111.983 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -25.69 65.82 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.207 0.912 . . . . 0.0 112.47 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.87 -31.78 51.56 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.75 1.22 . . . . 0.0 113.03 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.36 -29.45 66.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.66 1.184 . . . . 0.0 111.746 170.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.21 -45.94 62.27 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.573 1.149 . . . . 0.0 110.537 168.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.89 -15.78 45.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.0 1.72 . . . . 0.0 113.741 174.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -59.35 -29.38 67.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 112.306 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -77.66 -36.8 51.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.038 0.935 . . . . 0.0 112.87 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -159.04 129.77 6.02 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.283 1.833 . . . . 0.0 110.663 169.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.58 136.88 39.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.467 1.107 . . . . 0.0 113.455 -169.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 76.32 -36.6 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 129.813 3.245 . . . . 0.0 111.996 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -139.05 126.25 21.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.605 1.962 . . . . 0.0 109.731 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 52.2 t -105.86 128.53 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.835 2.054 . . . . 0.0 108.779 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.78 155.17 24.37 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.932 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -44.55 -46.09 9.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.616 1.566 . . . . 0.0 114.866 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -62.71 -38.43 90.39 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.127 -0.983 . . . . 0.0 111.68 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -75.67 -33.11 60.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.502 1.121 . . . . 0.0 111.363 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -63.09 -44.41 95.78 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.928 0.891 . . . . 0.0 111.63 171.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.05 -43.13 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.068 -1.02 . . . . 0.0 110.676 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.5 m -57.31 -45.41 84.25 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.074 0.949 . . . . 0.0 110.983 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.36 -36.41 79.18 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.654 0.782 . . . . 0.0 112.65 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.29 -26.26 68.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.058 1.299 . . . . 0.0 111.58 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.1 -38.09 83.11 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 118.884 0.765 . . . . 0.0 112.309 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.26 86.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.446 1.123 . . . . 0.0 111.769 170.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.49 -42.29 91.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.091 1.356 . . . . 0.0 111.441 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.43 -31.95 69.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.692 1.197 . . . . 0.0 112.902 172.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 84.4 mtp -74.43 -24.8 59.13 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 28.3 mm -66.55 -33.04 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 120.185 1.357 . . . . 0.0 111.527 169.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -72.62 55.1 0.36 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.908 1.283 . . . . 0.0 112.719 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -47.6 -38.79 15.26 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.337 2.255 . . . . 0.0 115.008 -170.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.74 -30.81 71.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.899 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.05 -24.59 66.0 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.97 -1.081 . . . . 0.0 112.313 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.5 mt -100.53 15.4 28.11 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.272 2.229 . . . . 0.0 112.164 172.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 125.584 1.554 . . . . 0.0 111.029 169.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 113.593 0.197 . . . . 0.0 113.593 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.49 -36.19 61.42 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.773 1.229 . . . . 0.0 113.246 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -57.4 -31.89 66.28 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.688 1.195 . . . . 0.0 112.517 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -78.7 -16.43 57.27 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 48.4 t -88.13 -37.49 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 125.123 1.369 . . . . 0.0 109.497 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.17 -28.48 65.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.589 1.956 . . . . 0.0 112.406 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -54.07 -34.07 59.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.927 1.291 . . . . 0.0 112.428 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -21.91 66.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.426 1.091 . . . . 0.0 112.803 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.65 -43.93 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.243 1.417 . . . . 0.0 110.112 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -52.42 -43.53 64.87 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.064 0.946 . . . . 0.0 112.545 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.65 -5.09 46.43 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -86.71 -22.2 26.18 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.156 0.982 . . . . 0.0 112.717 175.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 149.73 160.06 9.01 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.899 1.237 . . . . 0.0 114.742 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -159.49 37.17 0.2 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.665 1.986 . . . . 0.0 111.072 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.88 -30.52 69.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.21 1.404 . . . . 0.0 114.671 -170.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -82.28 -15.13 54.09 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.72 -47.04 76.69 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.977 1.262 . . . . 0.0 109.593 169.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -54.46 -35.53 63.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.954 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -80.85 -47.11 14.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.727 1.611 . . . . 0.0 112.713 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 9.9 m -83.26 -35.88 24.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.664 0.786 . . . . 0.0 112.729 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.63 -38.18 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.727 0.694 . . . . 0.0 110.593 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.05 -54.63 38.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.491 0.716 . . . . 0.0 111.403 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.06 -47.65 77.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.919 -1.113 . . . . 0.0 113.028 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.59 71.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 43.1 t90 . . . . . 0 CA--C 1.539 0.551 0 CA-C-N 118.735 0.698 . . . . 0.0 111.579 170.051 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.899 0 CA-C-O 120.069 -0.295 . . . . 0.0 113.408 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.72 -33.91 70.75 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.551 1.141 . . . . 0.0 113.06 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.7 ptp -57.19 -30.0 64.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.735 1.214 . . . . 0.0 113.856 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.12 -19.65 64.85 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.043 -1.035 . . . . 0.0 113.22 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.16 -45.61 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.226 1.411 . . . . 0.0 110.036 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.97 -30.74 67.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.769 1.227 . . . . 0.0 113.248 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -59.01 -34.57 72.03 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.97 0.804 . . . . 0.0 111.472 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -63.29 -21.69 66.41 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 30.5 mm -81.65 -32.35 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.72 1.208 . . . . 0.0 111.303 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -74.7 -34.68 62.66 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.327 -0.858 . . . . 0.0 111.352 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -73.15 -1.58 18.12 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.753 1.621 . . . . 0.0 113.855 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.29 -13.35 55.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.967 1.307 . . . . 0.0 112.688 170.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 122.51 153.99 8.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.254 1.883 . . . . 0.0 113.273 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -166.18 139.89 4.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.952 1.701 . . . . 0.0 111.057 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -143.19 -55.53 0.4 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.321 1.049 . . . . 0.0 112.711 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.53 -25.83 68.43 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 33.5 tpp -58.3 -51.88 67.94 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.17 0.588 . . . . 0.0 110.981 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . 0.294 0.0 OUTLIER -69.87 -18.41 63.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.669 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.38 -36.04 63.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.112 1.323 . . . . 0.0 112.015 169.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.4 m -73.18 -52.33 14.53 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.812 1.645 . . . . 0.0 111.091 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.41 -39.42 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 122.818 0.447 . . . . 0.0 111.752 -173.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -58.16 -57.4 13.03 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.402 -0.811 . . . . 0.0 111.457 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.99 -37.43 82.43 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.41 -0.806 . . . . 0.0 112.621 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.94 -20.19 61.79 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 4.2 t90 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 124.141 0.976 . . . . 0.0 111.571 169.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -39.02 -47.92 3.88 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -169.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.35 -39.63 21.86 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.418 2.078 . . . . 0.0 113.898 -174.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -81.66 -38.52 25.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.854 0.461 . . . . 0.0 111.634 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.24 -37.36 74.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.749 1.22 . . . . 0.0 112.994 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -71.41 -30.49 66.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.673 -0.642 . . . . 0.0 112.71 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.33 46.64 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.471 1.032 . . . . 0.0 112.465 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 pt -64.54 -36.02 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.474 1.034 . . . . 0.0 110.85 170.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -28.89 64.64 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.002 1.287 . . . . 0.0 113.521 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -55.64 16.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.135 0.974 . . . . 0.0 110.598 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.46 -42.18 82.05 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.816 1.246 . . . . 0.0 111.634 176.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.0 mt -62.89 -45.54 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.303 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.67 -36.03 62.18 Favored Glycine 0 N--CA 1.469 0.843 0 C-N-CA 123.457 0.551 . . . . 0.0 113.097 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 mt -63.52 -43.24 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.792 0.837 . . . . 0.0 111.048 172.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -71.92 -55.59 7.21 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.711 0.804 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -67.34 -24.28 65.7 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -70.39 -28.91 65.45 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.369 -0.832 . . . . 0.0 112.88 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -81.96 -22.57 36.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -61.01 -17.01 49.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 0.69 70.87 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.633 1.111 . . . . 0.0 115.11 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 N--CA 1.472 0.651 0 CA-C-N 119.639 1.719 . . . . 0.0 113.113 -178.565 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -127.56 22.45 6.42 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.29 175.26 7.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.575 1.55 . . . . 0.0 111.322 175.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 mt -134.67 130.87 37.0 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.533 1.133 . . . . 0.0 109.923 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.2 t -76.8 152.34 35.58 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.687 -0.633 . . . . 0.0 109.972 169.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.49 -32.36 68.72 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 119.663 -1.898 . . . . 0.0 113.592 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -67.49 -46.1 73.93 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.533 1.533 . . . . 0.0 112.329 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.11 -35.93 82.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.645 1.978 . . . . 0.0 111.291 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.86 -42.88 84.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.703 1.601 . . . . 0.0 110.757 169.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -59.39 -39.53 83.67 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.544 -1.348 . . . . 0.0 111.89 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.52 -43.83 98.16 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.422 0.689 . . . . 0.0 111.985 173.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.24 -55.8 27.22 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.982 0.81 . . . . 0.0 110.57 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.96 -46.1 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.891 0.769 . . . . 0.0 111.608 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -73.73 -20.95 60.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.592 1.087 . . . . 0.0 113.871 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -87.9 -45.35 10.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.333 1.424 . . . . 0.0 114.415 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.04 -48.35 11.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.738 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -83.27 -64.45 1.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.474 0.727 0 C-N-CA 130.561 3.544 . . . . 0.0 112.404 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.73 -26.64 64.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 120.588 1.54 . . . . 0.0 112.133 169.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.63 70.1 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.029 0.932 . . . . 0.0 112.602 170.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.93 -33.12 30.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.396 1.078 . . . . 0.0 111.059 170.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.17 -42.14 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 119.151 0.887 . . . . 0.0 112.109 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.87 -24.84 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.38 0.991 . . . . 0.0 112.116 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -79.08 -35.23 42.77 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.196 0.907 . . . . 0.0 111.831 169.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.04 -39.39 93.28 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.583 1.083 . . . . 0.0 112.363 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -27.59 68.29 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.602 1.092 . . . . 0.0 112.208 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.06 -25.13 47.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -74.26 -37.91 63.6 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.706 1.203 . . . . 0.0 111.825 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.26 -38.1 87.99 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.263 1.025 . . . . 0.0 110.722 169.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -80.36 -6.76 58.51 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.17 66.75 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.638 -1.289 . . . . 0.0 112.197 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.2 -15.04 59.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 112.664 170.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -118.82 -143.72 0.36 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.539 2.336 . . . . 0.0 111.893 -169.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -158.68 1.16 0.09 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 175.01 -41.98 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.098 2.559 . . . . 0.0 111.121 -174.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -147.24 147.89 30.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.039 1.336 . . . . 0.0 112.131 -169.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.85 128.7 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.01 2.124 . . . . 0.0 110.911 -172.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -79.3 156.93 27.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.587 1.155 . . . . 0.0 111.367 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -48.38 -40.92 27.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.44 -38.22 84.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.17 -0.956 . . . . 0.0 111.846 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.92 -33.63 64.03 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.511 0.724 . . . . 0.0 111.993 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.1 -40.15 92.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.132 0.973 . . . . 0.0 111.49 170.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mm -63.68 -48.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.643 0.777 . . . . 0.0 111.348 171.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.9 m -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.326 0.966 . . . . 0.0 111.848 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -67.37 -39.6 85.7 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.033 0.933 . . . . 0.0 112.317 175.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.0 mt -65.94 -27.51 68.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.61 1.096 . . . . 0.0 111.605 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.77 85.09 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.913 0.768 . . . . 0.0 112.164 169.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.77 50.59 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.189 0.994 . . . . 0.0 110.962 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -53.64 -44.25 69.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.95 1.3 . . . . 0.0 111.418 178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.18 70.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.134 1.373 . . . . 0.0 113.093 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.4 ttt -79.71 -32.61 41.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.125 0.97 . . . . 0.0 112.853 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.24 -31.67 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.306 0.957 . . . . 0.0 110.452 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -71.56 45.84 0.11 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.697 1.999 . . . . 0.0 111.998 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -53.66 -23.6 11.81 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.904 2.882 . . . . 0.0 117.086 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.29 -23.44 62.86 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.892 1.678 . . . . 0.0 111.933 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.36 69.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.793 0.837 . . . . 0.0 112.592 170.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.64 -38.81 47.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.46 1.104 . . . . 0.0 110.973 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -63.57 -50.44 69.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.213 1.405 . . . . 0.0 111.927 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 C-N-CA 125.253 1.406 . . . . 0.0 113.62 179.037 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.5 tpp . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.27 -21.17 8.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -169.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.36 -48.66 34.46 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -66.35 -37.51 23.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 123.395 2.73 . . . . 0.0 113.448 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 tp -73.96 -42.5 60.41 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.956 0.798 . . . . 0.0 110.676 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.24 -34.64 78.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.79 1.236 . . . . 0.0 112.623 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -74.93 -27.99 60.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 169.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.88 -46.95 27.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.574 1.079 . . . . 0.0 112.2 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.7 pt -63.62 -31.92 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.691 0.678 . . . . 0.0 110.921 170.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.6 -24.65 73.96 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 118.915 -0.936 . . . . 0.0 114.146 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -50.69 53.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.925 1.362 . . . . 0.0 109.939 174.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.95 -41.72 92.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.5 0.72 . . . . 0.0 112.105 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.54 -42.28 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.589 0.632 . . . . 0.0 110.617 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.2 -43.18 95.81 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-N 118.595 0.634 . . . . 0.0 112.835 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -59.67 -40.95 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.416 1.086 . . . . 0.0 111.472 173.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -68.25 -47.57 67.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.206 0.602 . . . . 0.0 111.304 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -69.71 -23.0 63.35 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -54.44 -53.5 53.31 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.416 1.007 . . . . 0.0 110.139 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -83.13 -40.43 19.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.788 1.635 . . . . 0.0 114.207 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.9 p -69.42 -37.25 77.36 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.868 -1.145 . . . . 0.0 112.085 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.23 79.21 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.433 1.016 . . . . 0.0 113.86 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -67.34 -35.11 78.72 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.512 1.156 . . . . 0.0 111.914 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.64 -25.69 23.41 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.253 1.021 . . . . 0.0 112.946 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.3 14.13 64.58 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.258 0.932 . . . . 0.0 113.198 -170.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.76 -31.75 57.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.377 1.471 . . . . 0.0 111.952 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttp 68.16 -65.71 0.25 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.107 2.563 . . . . 0.0 115.177 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -108.84 16.43 22.74 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.993 1.317 . . . . 0.0 113.799 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -151.52 164.12 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.365 1.866 . . . . 0.0 111.203 175.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -131.17 138.51 49.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.718 1.607 . . . . 0.0 110.945 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.6 m -80.42 152.96 28.55 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 168.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -53.22 -40.08 64.23 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.537 -1.352 . . . . 0.0 113.69 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -63.5 -34.42 77.74 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -76.67 -36.49 57.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.136 0.974 . . . . 0.0 111.259 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.23 -38.77 90.48 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.926 0.89 . . . . 0.0 109.8 169.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -60.76 -43.59 97.82 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.587 -1.321 . . . . 0.0 112.382 173.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.86 -42.53 98.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.797 0.839 . . . . 0.0 111.494 174.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.96 -55.47 32.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.193 0.997 . . . . 0.0 110.758 172.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.33 -49.51 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.845 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.77 -27.54 68.36 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.004 0.82 . . . . 0.0 113.073 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.54 -43.54 12.63 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -85.5 -29.94 23.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.227 0.921 . . . . 0.0 113.142 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.62 79.95 1.27 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.35 1.46 . . . . 0.0 107.941 170.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.466 0.366 0 C-N-CA 125.742 1.617 . . . . 0.0 112.449 -171.273 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 121.04 0.448 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.91 -26.12 68.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.967 -1.083 . . . . 0.0 112.561 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -26.81 68.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.704 1.201 . . . . 0.0 113.389 169.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -81.66 -37.76 26.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.035 0.934 . . . . 0.0 110.319 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.9 mm -60.05 -44.02 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.414 -0.804 . . . . 0.0 111.788 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -65.09 -32.01 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.059 0.845 . . . . 0.0 112.739 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -74.35 -29.83 61.75 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.781 0.719 . . . . 0.0 111.902 171.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.76 -36.21 81.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.949 -1.094 . . . . 0.0 112.103 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 29.4 mtm -59.06 -42.71 90.97 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.728 1.149 . . . . 0.0 111.397 171.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.35 -27.9 66.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.823 1.249 . . . . 0.0 112.317 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -81.01 -27.45 35.84 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.69 -44.86 69.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.832 0.853 . . . . 0.0 110.124 169.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.89 -5.51 51.23 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.035 1.734 . . . . 0.0 113.857 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -56.58 -28.55 60.5 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.889 -1.132 . . . . 0.0 111.696 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -73.98 -9.68 58.88 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.289 1.436 . . . . 0.0 113.428 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -144.8 -123.53 0.08 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.111 1.764 . . . . 0.0 111.398 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -171.96 1.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -175.51 -49.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 111.286 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.43 145.73 35.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 112.113 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -96.41 96.4 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.066 1.746 . . . . 0.0 106.699 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.03 171.63 14.95 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.916 0.886 . . . . 0.0 110.95 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.15 -56.88 10.37 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.11 -31.5 71.14 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.352 1.433 . . . . 0.0 112.296 -169.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -73.78 -29.01 61.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.11 0.964 . . . . 0.0 112.199 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -65.79 -42.86 90.24 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.474 1.034 . . . . 0.0 110.977 169.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mm -61.89 -47.75 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.274 0.63 . . . . 0.0 110.685 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.4 m -60.91 -41.95 97.12 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.77 1.228 . . . . 0.0 111.473 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.83 -40.17 94.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.763 0.825 . . . . 0.0 112.109 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.18 -22.09 66.64 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.862 0.756 . . . . 0.0 112.195 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.81 54.8 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.437 1.017 . . . . 0.0 112.466 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.91 99.9 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.282 1.041 . . . . 0.0 111.828 172.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.54 -45.38 85.15 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.78 1.232 . . . . 0.0 111.124 173.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.94 89.23 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.294 1.438 . . . . 0.0 113.545 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 98.1 mtp -68.06 -38.32 82.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.114 0.87 . . . . 0.0 112.747 172.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.5 mt -67.24 -26.66 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.59 0.756 . . . . 0.0 111.055 174.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -75.61 49.26 0.49 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.329 1.451 . . . . 0.0 111.365 169.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -45.14 -31.22 1.34 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.215 2.606 . . . . 0.0 116.875 -169.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.26 -29.18 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.467 1.485 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.31 -22.64 64.7 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.758 -1.214 . . . . 0.0 112.849 173.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.74 21.32 9.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.319 1.848 . . . . 0.0 111.541 173.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt . . . . . 0 CA--C 1.545 0.777 0 C-N-CA 125.158 1.383 . . . . 0.0 112.364 -177.485 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.946 0 CA-C-O 121.034 0.241 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -52.92 -33.46 50.73 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.089 1.356 . . . . 0.0 113.017 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -55.36 -29.24 58.01 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.882 1.273 . . . . 0.0 112.504 -178.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.17 -17.02 63.16 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.64 -38.59 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 125.128 1.371 . . . . 0.0 109.268 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.23 -32.75 74.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.523 1.529 . . . . 0.0 112.004 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.69 -33.54 68.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.788 1.235 . . . . 0.0 112.729 169.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.99 -23.49 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.976 -1.078 . . . . 0.0 112.376 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.54 -37.8 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.956 1.303 . . . . 0.0 110.69 175.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.58 -40.36 87.16 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.464 0.706 . . . . 0.0 111.76 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.31 -0.91 15.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.463 1.505 . . . . 0.0 113.815 173.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.15 2.59 16.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.072 1.749 . . . . 0.0 112.901 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.27 -166.84 37.11 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.233 1.397 . . . . 0.0 113.776 -175.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -139.13 159.76 41.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.747 1.619 . . . . 0.0 111.17 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.51 -4.6 40.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.7 -19.42 58.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.694 1.198 . . . . 0.0 113.91 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 26.0 ptp -58.12 -47.59 82.81 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.146 0.884 . . . . 0.0 110.299 170.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -64.7 -34.7 78.92 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.775 1.63 . . . . 0.0 111.013 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.11 -24.21 65.0 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.606 0.762 . . . . 0.0 112.302 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 29.8 m -94.2 -39.3 10.62 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.606 1.162 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.6 mm -55.48 -43.82 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.571 0.748 . . . . 0.0 110.402 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -55.22 -55.32 32.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.509 0.724 . . . . 0.0 112.11 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -58.3 -43.66 88.18 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.31 -0.869 . . . . 0.0 112.738 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.3 79.25 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.624 0.647 . . . . 0.0 112.66 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 123.644 0.778 . . . . 0.0 111.795 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.153 0 CA-C-O 121.753 0.64 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.16 -30.64 70.52 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.525 1.13 . . . . 0.0 113.371 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -51.5 -33.91 33.55 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.181 1.793 . . . . 0.0 112.827 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.14 -8.64 57.47 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -96.64 -39.02 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.663 1.585 . . . . 0.0 109.072 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.2 -41.23 92.53 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.208 1.803 . . . . 0.0 110.952 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -51.18 -42.51 60.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.595 1.558 . . . . 0.0 112.727 172.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -58.49 -27.55 64.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.765 0.826 . . . . 0.0 113.105 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.5 mm -90.94 -34.96 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.272 1.429 . . . . 0.0 110.468 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -63.05 -38.46 91.27 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.098 -1.002 . . . . 0.0 112.121 172.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.86 -0.29 20.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.263 1.025 . . . . 0.0 113.731 176.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -108.09 -45.94 3.85 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.969 1.308 . . . . 0.0 112.399 170.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -123.69 120.82 4.28 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.646 1.593 . . . . 0.0 113.582 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -175.96 117.95 0.14 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.892 2.477 . . . . 0.0 109.521 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -163.56 -53.72 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.816 0.847 . . . . 0.0 113.116 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.77 -26.04 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.312 -0.867 . . . . 0.0 112.177 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.4 tpp -51.57 -56.06 15.63 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 124.599 1.16 . . . . 0.0 109.594 168.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.5 -35.12 71.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.38 1.072 . . . . 0.0 112.469 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -68.98 -42.09 77.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.62 0.645 . . . . 0.0 111.807 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 22.2 m -73.88 -38.43 64.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.361 1.064 . . . . 0.0 111.756 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.29 -43.53 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.16 -48.07 82.95 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.075 0.852 . . . . 0.0 111.553 172.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -57.58 -45.3 85.41 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.36 -0.838 . . . . 0.0 112.945 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.66 64.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 39.9 t90 . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 123.315 0.646 . . . . 0.0 111.208 175.475 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 118.234 2.679 . . . . 0.0 118.234 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -52.2 -37.23 40.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 N-CA-C 116.922 2.194 . . . . 0.0 116.922 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -66.12 -36.93 27.27 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.064 2.509 . . . . 0.0 113.52 177.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.26 -37.73 28.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.014 0.824 . . . . 0.0 111.895 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.25 -42.51 86.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.133 1.373 . . . . 0.0 111.487 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -69.96 -19.06 63.38 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.69 10.32 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.329 0.968 . . . . 0.0 112.264 171.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 pt -64.69 -32.72 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.274 0.943 . . . . 0.0 112.219 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.75 -23.32 78.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 119.488 -0.618 . . . . 0.0 113.553 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -52.64 62.59 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 1.144 . . . . 0.0 109.66 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.57 -38.59 78.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.599 1.16 . . . . 0.0 111.47 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.42 -51.35 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.755 0.822 . . . . 0.0 112.073 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.16 76.2 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 123.904 0.764 . . . . 0.0 113.348 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mt -75.11 -42.05 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.37 1.068 . . . . 0.0 111.995 169.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -68.62 -57.19 6.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.822 0.849 . . . . 0.0 112.648 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -68.81 -20.35 64.32 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -59.17 -40.88 86.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.784 1.234 . . . . 0.0 111.197 169.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.34 -25.81 33.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 m -61.8 -41.88 98.31 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.323 1.419 . . . . 0.0 110.739 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.51 -4.69 9.95 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.841 1.686 . . . . 0.0 114.816 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm . . . . . 0 CA--C 1.539 0.529 0 CA-C-N 118.671 1.235 . . . . 0.0 111.788 169.377 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 pttp . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -94.0 24.29 4.37 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.17 1.388 . . . . 0.0 113.289 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.9 t -146.38 148.46 32.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.705 2.002 . . . . 0.0 109.848 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tp -120.3 131.77 55.04 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.739 1.615 . . . . 0.0 110.104 -172.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 t -78.4 151.36 32.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.58 -0.7 . . . . 0.0 111.814 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -60.22 -36.04 76.81 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.398 -2.064 . . . . 0.0 114.054 -171.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -79.84 -29.82 40.22 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.561 -1.337 . . . . 0.0 112.992 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.21 -38.65 91.12 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.646 1.578 . . . . 0.0 110.34 171.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.53 -45.1 92.14 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.533 1.933 . . . . 0.0 110.209 169.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -59.17 -36.73 75.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.561 -1.337 . . . . 0.0 111.96 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.69 -42.31 86.67 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.726 0.811 . . . . 0.0 111.81 173.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.06 -53.08 60.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.053 0.941 . . . . 0.0 110.438 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.96 -45.83 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.778 0.717 . . . . 0.0 111.468 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -66.03 -25.02 66.86 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.608 1.095 . . . . 0.0 113.59 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.9 -59.08 2.4 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.405 1.002 . . . . 0.0 113.003 170.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -3.63 58.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -136.14 49.64 2.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.21 2.204 . . . . 0.0 107.274 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 130.009 3.324 . . . . 0.0 113.487 -169.741 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.57 -24.96 64.17 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.018 -1.051 . . . . 0.0 113.219 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.04 -29.56 69.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.384 1.074 . . . . 0.0 112.767 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -81.25 -33.02 33.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.688 0.795 . . . . 0.0 110.509 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.1 -42.38 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.22 -0.925 . . . . 0.0 112.114 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -64.32 -30.34 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 120.364 1.438 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -76.53 -35.99 57.97 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.089 0.859 . . . . 0.0 112.995 171.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.57 -34.24 77.45 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.175 -0.953 . . . . 0.0 111.928 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 ttp -60.11 -41.64 93.0 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.199 1.4 . . . . 0.0 111.21 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.25 -37.18 86.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.363 1.065 . . . . 0.0 112.541 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -72.91 -17.76 61.48 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 172.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -81.3 -46.69 14.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.766 1.227 . . . . 0.0 110.62 169.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.09 -22.77 61.34 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.51 1.524 . . . . 0.0 113.066 170.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -59.37 -22.97 62.14 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 113.162 172.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -73.32 -45.59 54.48 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.57 -0.706 . . . . 0.0 111.885 173.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -161.59 137.13 7.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.589 1.556 . . . . 0.0 112.379 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.98 126.85 28.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.623 1.569 . . . . 0.0 113.504 -173.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 74.26 -44.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 129.399 3.08 . . . . 0.0 113.447 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.24 139.19 50.8 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.363 1.065 . . . . 0.0 111.962 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.11 126.08 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 127.346 2.258 . . . . 0.0 109.007 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -76.84 154.61 33.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.806 -0.559 . . . . 0.0 110.85 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -46.85 -46.05 20.67 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.91 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.087 -1.008 . . . . 0.0 111.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.48 -34.35 72.28 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.631 1.172 . . . . 0.0 111.567 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.35 -44.66 87.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.686 1.594 . . . . 0.0 111.567 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.18 -44.02 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.411 1.005 . . . . 0.0 110.29 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.2 m -59.03 -46.71 87.53 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.709 1.203 . . . . 0.0 111.176 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -66.63 -37.06 84.06 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.843 0.457 . . . . 0.0 112.206 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.22 -29.08 69.26 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.39 0.995 . . . . 0.0 112.388 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.59 86.6 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.109 0.862 . . . . 0.0 112.817 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.13 85.17 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.111 0.956 . . . . 0.0 112.056 170.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.62 -40.84 88.9 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.303 1.441 . . . . 0.0 111.477 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.38 -29.97 71.03 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.077 0.951 . . . . 0.0 113.492 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 tpt -74.22 -27.71 60.92 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.994 0.918 . . . . 0.0 112.922 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.9 mm -54.93 -40.67 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 110.721 169.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -76.52 42.93 0.3 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.416 1.886 . . . . 0.0 113.616 -171.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.95 -13.62 2.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.816 2.847 . . . . 0.0 117.027 -169.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.92 -31.91 72.26 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 120.558 1.526 . . . . 0.0 111.096 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.39 53.46 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.1 mt -90.78 8.73 33.2 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.533 1.933 . . . . 0.0 112.286 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -146.17 -18.13 0.44 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.423 1.889 . . . . 0.0 114.133 175.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 127.575 2.512 . . . . 0.0 113.394 169.786 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 119.175 -0.441 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 -53.52 47.32 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.204 1.927 . . . . 0.0 116.204 -170.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.6 p -54.98 -34.75 26.88 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -169.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -69.11 -33.57 18.77 Favored 'Trans proline' 0 C--N 1.356 0.944 0 CA-C-N 123.595 2.32 . . . . 0.0 113.202 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.55 -46.35 39.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.338 1.427 . . . . 0.0 110.521 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.32 -36.05 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.415 0.686 . . . . 0.0 112.406 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -74.76 -30.23 61.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.416 -0.802 . . . . 0.0 112.703 172.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.75 68.16 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.783 1.174 . . . . 0.0 112.172 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.86 -27.36 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.129 -0.982 . . . . 0.0 111.964 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.77 -35.36 79.85 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.526 1.06 . . . . 0.0 112.766 170.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -47.81 83.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.311 1.444 . . . . 0.0 110.758 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.87 -36.96 82.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.043 0.937 . . . . 0.0 112.07 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.56 -44.67 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.234 0.924 . . . . 0.0 110.925 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.39 95.9 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.28 0.943 . . . . 0.0 113.323 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -36.28 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 117.877 0.839 . . . . 0.0 111.477 172.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.62 -51.03 9.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.017 0.927 . . . . 0.0 112.801 -173.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.27 -25.87 63.55 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -55.17 -42.03 72.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.261 1.024 . . . . 0.0 111.518 169.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -82.3 -36.12 27.29 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.652 1.181 . . . . 0.0 113.701 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 96.6 p -66.48 -39.57 88.83 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.981 -1.074 . . . . 0.0 111.711 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.74 -19.77 73.54 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.944 1.259 . . . . 0.0 114.424 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -64.1 -44.37 92.49 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.975 1.387 . . . . 0.0 111.354 170.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -85.32 -16.95 38.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.795 1.238 . . . . 0.0 112.417 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.18 16.5 43.76 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.558 1.551 . . . . 0.0 113.649 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -87.0 142.56 27.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 112.813 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -75.07 -35.17 61.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -171.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -163.69 19.6 0.07 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -174.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.9 p -126.61 153.23 45.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.175 1.39 . . . . 0.0 112.505 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 140.37 50.9 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.966 1.306 . . . . 0.0 108.534 169.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -78.11 162.3 26.76 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.799 -0.563 . . . . 0.0 109.696 169.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -56.89 -33.88 67.33 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.792 -1.193 . . . . 0.0 112.885 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -68.85 -41.87 77.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.695 1.198 . . . . 0.0 112.838 170.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -75.21 -26.34 58.9 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.128 -0.982 . . . . 0.0 111.884 -176.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -45.94 86.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.086 0.954 . . . . 0.0 109.546 169.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -59.61 -40.92 89.12 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.181 -0.949 . . . . 0.0 111.534 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.35 -51.37 69.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.961 0.904 . . . . 0.0 111.775 171.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.27 -50.72 64.25 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.134 0.973 . . . . 0.0 111.211 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.11 -47.85 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 118.368 0.531 . . . . 0.0 111.456 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.94 -19.02 59.11 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.43 -51.2 6.06 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.006 1.276 . . . . 0.0 113.051 169.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.55 -43.44 13.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.464 0.575 . . . . 0.0 111.876 -169.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.2 mt -83.89 -36.88 23.05 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.576 0.626 . . . . 0.0 110.724 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 C-N-CA 126.331 1.853 . . . . 0.0 111.191 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.06 -28.44 64.55 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.678 -1.264 . . . . 0.0 113.54 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.48 -28.79 68.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.017 1.327 . . . . 0.0 112.878 171.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -80.31 -37.22 33.09 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.171 0.988 . . . . 0.0 110.477 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.08 -39.07 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.22 -0.925 . . . . 0.0 112.279 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.77 -27.6 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.183 0.901 . . . . 0.0 112.606 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -76.09 -35.69 59.25 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.078 0.854 . . . . 0.0 112.595 171.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.29 -39.66 95.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.901 0.773 . . . . 0.0 111.346 169.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -62.25 -38.94 91.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.468 1.107 . . . . 0.0 111.384 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.51 -39.48 94.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.173 0.989 . . . . 0.0 112.463 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -72.37 -20.34 61.47 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.984 1.265 . . . . 0.0 113.995 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.05 -46.14 17.08 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.691 1.197 . . . . 0.0 110.836 169.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.94 -35.47 75.01 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.347 1.059 . . . . 0.0 112.813 173.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -57.37 -27.54 62.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.05 2.14 . . . . 0.0 113.095 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -83.5 -7.14 59.59 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.119 0.968 . . . . 0.0 113.343 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -147.44 -135.72 0.08 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.825 1.65 . . . . 0.0 111.429 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -160.59 100.71 1.32 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.455 1.102 . . . . 0.0 110.175 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 74.04 -28.27 0.19 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.563 2.745 . . . . 0.0 112.91 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.65 144.22 50.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.636 1.974 . . . . 0.0 107.877 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 127.48 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.05 1.74 . . . . 0.0 107.794 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -78.99 158.03 28.01 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.08 0.552 . . . . 0.0 111.523 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -49.15 -44.54 42.79 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.154 1.382 . . . . 0.0 114.528 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -62.64 -43.32 99.1 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.632 -0.667 . . . . 0.0 111.657 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.87 -31.19 63.04 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.77 0.828 . . . . 0.0 111.877 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -60.57 -46.12 91.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 110.745 169.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.2 -35.09 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.067 -1.021 . . . . 0.0 111.988 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.9 m -56.13 -44.6 79.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 110.526 173.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.01 -37.74 81.79 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 173.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.11 -20.6 59.02 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.738 1.153 . . . . 0.0 112.289 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.94 -39.54 93.32 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-N 119.892 1.224 . . . . 0.0 112.648 169.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.86 71.23 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.453 1.126 . . . . 0.0 112.157 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.4 -45.03 92.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.298 0.639 . . . . 0.0 111.368 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.83 74.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 0.0 112.177 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.3 mtp -69.67 -20.85 63.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 172.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -69.34 -26.74 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 120.01 1.277 . . . . 0.0 112.204 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -78.3 53.0 1.19 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.989 1.316 . . . . 0.0 111.24 169.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -53.42 -36.36 61.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.771 1.628 . . . . 0.0 114.567 -169.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -62.24 -30.88 71.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.653 0.781 . . . . 0.0 112.901 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.81 63.14 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.253 -0.904 . . . . 0.0 112.51 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.96 -42.58 63.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.275 1.03 . . . . 0.0 110.282 172.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt . . . . . 0 N--CA 1.474 0.754 0 C-N-CA 123.466 0.707 . . . . 0.0 112.808 -179.615 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 CA-C-O 121.18 0.322 . . . . 0.0 113.443 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.62 -34.34 72.65 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.991 -0.711 . . . . 0.0 112.747 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.4 -27.41 64.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.867 1.267 . . . . 0.0 112.59 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -63.76 -24.66 67.85 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.91 -36.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.028 1.731 . . . . 0.0 109.702 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.78 -28.86 66.1 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.569 1.548 . . . . 0.0 111.914 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -55.36 -27.22 45.9 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.946 -1.096 . . . . 0.0 113.115 172.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -71.96 -10.83 60.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.19 0.996 . . . . 0.0 113.538 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 21.8 mt -99.63 -25.26 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.506 2.322 . . . . 0.0 111.156 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -51.95 -42.83 63.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.46 -3.34 46.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.321 1.449 . . . . 0.0 114.0 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -101.36 -36.62 8.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.632 1.573 . . . . 0.0 111.695 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -85.87 16.15 43.61 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.499 1.523 . . . . 0.0 114.197 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.63 154.69 35.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.306 1.443 . . . . 0.0 114.012 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 21.0 t70 72.03 -31.66 0.23 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 129.336 3.054 . . . . 0.0 115.674 171.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -85.05 -22.0 29.18 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.993 1.27 . . . . 0.0 113.587 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.35 -48.94 79.6 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.66 0.784 . . . . 0.0 111.65 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -62.27 -30.98 71.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.884 -1.135 . . . . 0.0 113.07 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -77.64 -24.05 49.56 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.261 1.024 . . . . 0.0 111.641 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 54.1 m -78.25 -52.89 7.98 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.569 1.948 . . . . 0.0 110.79 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.21 -35.76 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.2 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -55.27 -58.97 5.52 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.236 0.925 . . . . 0.0 112.018 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.72 -38.45 91.14 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.966 -1.084 . . . . 0.0 112.794 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.84 -38.08 84.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.663 0.785 . . . . 0.0 112.839 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 . . . . . 0 CA--C 1.537 0.476 0 O-C-N 121.695 -0.628 . . . . 0.0 111.741 177.395 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.02 -32.08 63.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 11.3 mmt -53.1 -33.81 53.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.418 1.087 . . . . 0.0 112.56 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.11 -19.18 64.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.7 t -97.0 -40.35 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.153 1.381 . . . . 0.0 108.553 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.95 -34.86 78.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.895 1.678 . . . . 0.0 112.035 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.01 -29.42 70.26 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 112.836 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -65.78 -26.82 67.88 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.647 -1.283 . . . . 0.0 112.427 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 9.8 mm -79.0 -39.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.888 1.275 . . . . 0.0 110.837 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -58.52 -36.78 74.36 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.289 -0.882 . . . . 0.0 112.731 173.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.13 -3.02 4.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.03 1.332 . . . . 0.0 114.556 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -108.51 -47.65 3.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.524 1.53 . . . . 0.0 110.401 168.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 64.43 -156.4 45.71 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.514 1.53 . . . . 0.0 116.413 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -159.16 145.6 16.73 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.359 1.864 . . . . 0.0 111.234 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.7 -41.64 21.03 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -73.49 -25.77 60.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.46 -56.51 16.32 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.328 1.051 . . . . 0.0 109.865 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -63.99 -25.72 68.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.83 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -69.43 -37.51 77.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.708 1.595 . . . . 0.0 111.813 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 96.9 m -68.97 -42.85 76.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.306 1.442 . . . . 0.0 111.45 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.21 -51.11 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.094 0.558 . . . . 0.0 110.927 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -56.8 -50.12 73.32 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.672 0.669 . . . . 0.0 112.112 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.18 -35.24 80.16 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.18 89.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.309 0.958 . . . . 0.0 112.427 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.6 m95 . . . . . 0 CA--C 1.54 0.576 0 O-C-N 121.452 -0.78 . . . . 0.0 111.879 175.753 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -59.22 -29.98 6.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -66.76 -36.56 23.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.234 1.956 . . . . 0.0 112.62 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -78.17 -40.13 38.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.759 0.709 . . . . 0.0 110.967 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.09 -42.96 73.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.193 1.397 . . . . 0.0 112.531 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.49 -22.1 60.24 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.09 -47.69 14.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.809 0.844 . . . . 0.0 112.187 174.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.4 pt -63.61 -33.65 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.146 -0.971 . . . . 0.0 110.992 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.07 71.81 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.693 1.14 . . . . 0.0 113.729 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -49.6 58.0 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.868 1.334 . . . . 0.0 110.058 174.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.2 -39.94 84.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.369 1.068 . . . . 0.0 111.379 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.93 -48.37 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.066 0.848 . . . . 0.0 110.873 171.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.91 -24.84 73.12 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.478 1.037 . . . . 0.0 113.703 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.21 -47.43 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.079 1.352 . . . . 0.0 111.362 169.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.08 -55.93 5.82 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -69.81 -23.91 63.39 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -169.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -50.2 -44.6 53.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.94 1.296 . . . . 0.0 111.711 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -80.91 -30.81 35.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.684 1.194 . . . . 0.0 113.027 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -64.52 -31.92 73.34 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.353 -0.842 . . . . 0.0 112.868 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.34 -9.28 79.79 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.98 1.276 . . . . 0.0 113.964 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt . . . . . 0 CA--C 1.544 0.715 0 CA-C-N 119.085 1.443 . . . . 0.0 112.86 -177.253 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 122.108 0.956 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 61.24 2.11 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.044 1.737 . . . . 0.0 113.536 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -131.96 157.93 42.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.503 1.921 . . . . 0.0 111.209 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 99.0 mt -126.69 133.37 50.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.325 1.85 . . . . 0.0 108.327 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.2 p -79.2 175.15 10.85 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.61 -0.681 . . . . 0.0 112.666 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -31.68 63.54 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 175.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -80.6 -46.35 15.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.387 -0.821 . . . . 0.0 111.39 169.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.69 -30.4 71.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.807 0.731 . . . . 0.0 112.956 -174.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -50.25 69.85 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.562 -0.711 . . . . 0.0 110.46 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.25 -30.11 71.31 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.217 -0.927 . . . . 0.0 112.692 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.66 -49.27 75.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.942 0.897 . . . . 0.0 110.57 173.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.35 -52.99 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.718 0.807 . . . . 0.0 110.796 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.76 -49.02 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.899 0.772 . . . . 0.0 111.625 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.25 -27.59 64.57 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.477 1.035 . . . . 0.0 112.766 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -87.16 -38.85 16.05 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.62 -51.86 5.66 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 111.851 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.83 68.96 10.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.497 1.119 . . . . 0.0 109.086 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 126.099 1.76 . . . . 0.0 112.098 -174.571 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.88 -26.55 64.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.62 -1.3 . . . . 0.0 113.151 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -27.94 68.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 113.268 170.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -80.79 -41.35 23.52 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.351 1.061 . . . . 0.0 110.318 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.3 mm -70.02 -33.5 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.84 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.96 -29.93 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 119.962 1.255 . . . . 0.0 112.089 171.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -76.19 -36.28 58.72 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.438 1.017 . . . . 0.0 111.88 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.14 -42.79 99.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.713 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -60.8 -37.9 83.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.033 0.933 . . . . 0.0 111.672 172.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.59 -31.85 70.25 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.515 1.126 . . . . 0.0 113.207 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -74.09 -26.26 60.27 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.181 -0.95 . . . . 0.0 112.673 171.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.92 -56.43 5.72 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 110.105 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -66.23 -18.23 65.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.215 2.206 . . . . 0.0 114.375 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -22.13 4.79 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.429 1.492 . . . . 0.0 112.459 169.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.77 -8.2 59.11 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -144.8 -98.63 0.1 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 120.398 1.454 . . . . 0.0 114.058 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.71 -55.64 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.959 1.254 . . . . 0.0 113.78 -169.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -157.05 27.75 0.31 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.005 1.722 . . . . 0.0 111.685 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.64 169.01 20.81 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.263 1.825 . . . . 0.0 111.814 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.63 122.84 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.585 1.154 . . . . 0.0 110.281 169.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.38 163.05 20.83 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.513 173.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.15 -44.93 71.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -63.07 -45.34 92.63 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.699 0.681 . . . . 0.0 110.665 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -71.75 -34.89 69.87 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.89 1.276 . . . . 0.0 111.404 -173.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.21 -39.43 82.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.174 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 mt -74.57 -36.52 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.15 -0.968 . . . . 0.0 112.326 175.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -54.21 -42.34 69.66 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.942 1.246 . . . . 0.0 111.443 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -69.32 -39.32 78.3 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.57 -20.65 64.91 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 172.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.08 96.32 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 119.479 1.036 . . . . 0.0 111.927 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.67 -36.66 65.36 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.982 0.891 . . . . 0.0 112.382 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.01 -35.43 79.91 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.496 0.589 . . . . 0.0 111.657 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.25 76.72 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.509 0.724 . . . . 0.0 110.688 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.61 -29.71 69.39 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.109 1.364 . . . . 0.0 114.02 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 tp -59.4 -31.55 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.12 0.873 . . . . 0.0 112.527 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -77.1 54.3 1.04 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.063 1.345 . . . . 0.0 111.695 169.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -52.5 -26.57 13.38 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -173.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -79.64 -18.07 52.31 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.073 1.306 . . . . 0.0 113.688 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -40.82 64.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.558 1.143 . . . . 0.0 109.347 169.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.72 -28.8 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.171 1.388 . . . . 0.0 112.273 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -65.21 -34.81 79.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.887 0.875 . . . . 0.0 112.597 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.895 1.712 . . . . 0.0 111.969 -177.31 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 119.31 -0.376 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.71 -22.78 37.17 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -57.17 -34.19 24.24 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.199 1.926 . . . . 0.0 116.199 -174.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.55 -36.58 52.88 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.317 2.678 . . . . 0.0 113.01 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.41 -40.22 44.33 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.95 0.796 . . . . 0.0 111.191 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -59.9 -39.9 86.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.948 0.899 . . . . 0.0 112.232 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -73.93 -22.3 59.72 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.17 -49.83 13.09 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.781 1.173 . . . . 0.0 112.298 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.38 -32.21 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.126 0.876 . . . . 0.0 111.294 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.32 -22.81 74.85 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.198 1.38 . . . . 0.0 113.903 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -48.01 61.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.166 1.483 . . . . 0.0 109.847 175.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.89 -39.85 90.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.956 0.902 . . . . 0.0 111.416 175.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.67 -44.8 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.61 0.641 . . . . 0.0 110.769 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 -28.48 73.81 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.355 0.978 . . . . 0.0 113.775 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.3 mt -79.23 -48.46 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.634 1.174 . . . . 0.0 112.004 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -77.53 -52.27 9.33 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.975 0.91 . . . . 0.0 113.004 -170.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.99 -19.38 60.67 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.662 -0.649 . . . . 0.0 112.666 -172.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.12 -41.17 96.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.76 0.824 . . . . 0.0 109.781 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -34.13 35.67 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -174.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -67.38 -5.64 15.46 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.6 -7.34 84.59 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 118.835 -0.981 . . . . 0.0 114.59 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -77.38 -42.8 35.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.481 1.641 . . . . 0.0 112.449 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -138.86 -28.98 0.79 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.017 1.327 . . . . 0.0 113.511 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.92 -156.19 9.61 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.958 1.266 . . . . 0.0 113.41 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.83 -51.62 0.05 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.701 1.2 . . . . 0.0 112.343 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -86.81 -162.64 0.8 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.316 1.046 . . . . 0.0 112.032 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -73.88 50.52 0.36 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.31 1.844 . . . . 0.0 113.571 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t -150.6 152.97 34.87 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.684 1.594 . . . . 0.0 111.093 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -121.29 143.77 48.99 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.801 1.641 . . . . 0.0 109.9 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.0 m -77.2 154.74 32.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.624 -1.297 . . . . 0.0 109.314 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -56.14 -40.28 73.55 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.083 -1.636 . . . . 0.0 113.953 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -78.44 -22.52 47.52 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -68.49 -43.49 76.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.018 1.327 . . . . 0.0 109.801 171.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.01 -44.89 95.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.249 1.42 . . . . 0.0 111.313 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -55.93 -40.23 72.82 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.169 -0.957 . . . . 0.0 111.347 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.09 -43.68 81.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 117.96 -1.019 . . . . 0.0 112.162 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.81 -52.53 40.32 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.929 1.24 . . . . 0.0 110.582 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.86 -46.88 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 118.6 -0.714 . . . . 0.0 111.599 -175.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -78.17 -11.17 59.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -88.79 -53.56 4.56 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.356 0.98 . . . . 0.0 112.171 169.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -88.68 -40.4 13.31 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.423 1.489 . . . . 0.0 114.109 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.23 23.49 11.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.901 1.68 . . . . 0.0 112.367 -169.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.403 0 C-N-CA 128.499 2.72 . . . . 0.0 113.68 -169.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -61.32 -35.81 78.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.612 -1.305 . . . . 0.0 112.204 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.74 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.084 1.353 . . . . 0.0 113.382 171.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -81.73 -38.57 25.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.791 0.836 . . . . 0.0 110.907 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.81 -41.77 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 111.66 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.62 -25.84 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.905 1.23 . . . . 0.0 112.296 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -78.2 -32.21 49.89 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.433 1.015 . . . . 0.0 112.968 170.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.41 -40.73 85.6 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.867 -1.146 . . . . 0.0 111.593 170.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.68 -42.85 97.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.641 1.576 . . . . 0.0 111.254 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.15 -43.02 96.06 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.957 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.8 -45.3 93.27 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.968 1.258 . . . . 0.0 112.168 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.31 -41.97 97.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.139 1.375 . . . . 0.0 112.352 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.25 -41.12 90.43 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.161 1.384 . . . . 0.0 112.807 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -70.39 -20.98 62.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.393 1.877 . . . . 0.0 112.737 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.14 -28.91 64.62 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.509 0.724 . . . . 0.0 112.031 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -107.03 -129.36 0.28 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.94 1.696 . . . . 0.0 109.925 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.13 -17.97 0.57 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -174.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -172.8 -32.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.198 1.399 . . . . 0.0 112.067 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.15 141.63 51.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.096 1.759 . . . . 0.0 106.51 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.7 t -84.27 102.42 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.448 1.899 . . . . 0.0 108.854 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -78.29 149.55 33.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.513 0.725 . . . . 0.0 111.759 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -53.52 -40.55 65.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.273 1.429 . . . . 0.0 114.777 -175.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -71.49 -35.46 70.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.849 1.204 . . . . 0.0 111.999 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.56 -34.79 67.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.942 0.897 . . . . 0.0 111.791 175.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.79 -45.41 93.97 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.856 1.263 . . . . 0.0 111.404 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.4 mt -68.47 -38.21 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 118.672 -0.68 . . . . 0.0 111.495 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 67.5 m -58.73 -45.4 89.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.255 0.934 . . . . 0.0 111.0 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.08 -42.27 99.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.67 0.788 . . . . 0.0 111.96 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.81 -23.15 67.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.258 0.935 . . . . 0.0 112.89 173.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.6 64.94 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 119.434 1.015 . . . . 0.0 112.701 170.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.43 71.41 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.134 0.967 . . . . 0.0 112.204 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.52 -41.73 92.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.77 0.828 . . . . 0.0 110.642 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.77 71.68 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.327 1.051 . . . . 0.0 112.048 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.2 ttm -72.81 -31.8 65.08 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.513 1.125 . . . . 0.0 113.136 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 tp -61.97 -28.39 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -174.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -62.84 -17.14 60.98 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 67.63 -59.8 0.4 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 129.238 3.015 . . . . 0.0 114.698 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.99 -33.8 76.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.704 1.202 . . . . 0.0 111.673 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.49 72.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.028 0.931 . . . . 0.0 113.008 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.99 15.62 18.34 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt . . . . . 0 N--CA 1.476 0.83 0 C-N-CA 124.798 1.239 . . . . 0.0 112.948 170.257 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.193 0 CA-C-O 119.487 -0.619 . . . . 0.0 113.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.99 -65.24 0.72 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.033 1.333 . . . . 0.0 109.019 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -53.52 -32.16 49.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.923 1.289 . . . . 0.0 112.215 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.07 -20.49 62.65 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 70.4 t -96.75 -35.54 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 120.18 1.354 . . . . 0.0 109.59 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.18 -31.86 66.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.277 1.831 . . . . 0.0 112.257 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.54 -28.57 68.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.324 1.049 . . . . 0.0 112.86 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -64.78 -21.74 66.84 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.541 1.136 . . . . 0.0 112.937 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.96 -48.04 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.068 1.347 . . . . 0.0 110.581 170.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -51.41 -41.46 60.76 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.694 1.198 . . . . 0.0 113.799 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -81.74 -2.75 51.73 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.814 1.246 . . . . 0.0 113.606 -175.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -110.87 -38.46 5.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 113.387 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.28 151.41 51.77 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.827 1.203 . . . . 0.0 114.08 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.83 154.53 41.21 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.018 1.327 . . . . 0.0 113.366 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -79.33 36.41 0.3 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.931 2.092 . . . . 0.0 113.41 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -71.92 -34.27 68.94 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.731 -1.23 . . . . 0.0 113.387 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 54.6 ttm -62.89 -47.0 85.2 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.697 0.68 . . . . 0.0 110.55 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -11.3 32.94 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -89.77 -44.04 10.26 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.391 0.996 . . . . 0.0 111.185 169.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.5 m -69.7 -37.92 76.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.502 1.521 . . . . 0.0 112.99 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.33 -39.72 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.824 0.849 . . . . 0.0 111.773 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.06 -48.81 78.99 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.944 0.793 . . . . 0.0 111.362 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.05 -49.4 78.04 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.328 -0.857 . . . . 0.0 111.656 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.85 68.98 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 123.799 0.84 . . . . 0.0 111.686 172.289 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 N-CA-C 112.339 -0.305 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.83 -25.55 63.31 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.293 1.037 . . . . 0.0 113.768 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.41 -29.35 15.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.305 1.442 . . . . 0.0 112.883 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.84 -15.83 63.88 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.57 -37.83 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.459 1.904 . . . . 0.0 110.346 173.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -66.85 -25.85 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.554 1.142 . . . . 0.0 111.937 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.73 -27.21 62.79 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.311 -0.868 . . . . 0.0 112.746 170.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -70.85 -16.1 62.68 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.07 0.948 . . . . 0.0 112.699 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.86 -41.74 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.375 1.47 . . . . 0.0 110.48 169.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -50.7 -42.97 57.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.07 0.948 . . . . 0.0 113.234 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.25 -4.47 22.0 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -79.45 -20.0 48.51 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.034 0.934 . . . . 0.0 112.514 170.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 98.88 -171.34 24.71 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.904 1.716 . . . . 0.0 114.542 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -164.32 164.8 22.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.513 2.325 . . . . 0.0 110.593 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.25 -38.62 0.09 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.13 -19.45 60.57 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 22.5 mmt -54.02 -50.46 66.59 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.376 1.07 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -65.39 -26.54 68.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.863 0.865 . . . . 0.0 113.247 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -83.38 -27.02 29.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.797 1.239 . . . . 0.0 112.282 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 30.3 m -91.82 -48.27 6.88 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.068 1.347 . . . . 0.0 111.512 -177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 88.8 mt -75.2 -46.7 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.735 0.814 . . . . 0.0 111.439 -169.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -59.53 -41.18 89.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.671 1.123 . . . . 0.0 111.679 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.7 -53.99 51.31 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.444 0.698 . . . . 0.0 111.379 173.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.76 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 10.4 m95 . . . . . 0 N--CA 1.473 0.706 0 C-N-CA 124.855 1.262 . . . . 0.0 113.224 179.251 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 p -38.21 -49.92 3.33 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -169.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.96 -36.24 31.41 Favored 'Trans proline' 0 C--N 1.355 0.88 0 CA-C-N 122.617 1.97 . . . . 0.0 112.729 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.09 -39.49 25.6 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.436 1.016 . . . . 0.0 111.96 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.39 -38.05 82.72 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.891 1.276 . . . . 0.0 112.203 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -73.84 -23.9 59.69 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 173.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.42 -48.75 12.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.685 1.13 . . . . 0.0 112.622 175.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.9 pt -63.02 -35.27 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.87 -1.144 . . . . 0.0 110.586 172.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -27.31 71.28 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 124.818 1.199 . . . . 0.0 113.113 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -49.75 58.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.674 1.737 . . . . 0.0 110.15 173.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.63 -43.37 89.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.403 0.681 . . . . 0.0 110.917 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -66.65 -41.98 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.883 0.765 . . . . 0.0 110.934 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.63 89.71 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.511 1.053 . . . . 0.0 112.626 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mt -66.19 -35.13 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.214 1.007 . . . . 0.0 111.905 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -65.87 -53.55 38.24 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.33 0.968 . . . . 0.0 111.154 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.27 -26.86 64.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -51.85 -48.59 63.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.775 1.23 . . . . 0.0 111.537 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 50.8 m-85 -81.84 -36.42 28.29 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p -67.39 -30.87 70.76 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 121.098 1.772 . . . . 0.0 112.742 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 -8.75 59.41 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.764 1.173 . . . . 0.0 114.811 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HE3' ' CD2' ' A' ' 19' ' ' TYR . 39.6 mttm . . . . . 0 N--CA 1.472 0.669 0 CA-C-N 119.037 1.419 . . . . 0.0 112.241 171.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.83 17.85 0.88 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -169.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -155.74 147.46 23.07 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.465 1.506 . . . . 0.0 111.896 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.6 154.35 35.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.986 1.714 . . . . 0.0 110.527 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -79.62 158.01 27.16 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.298 -0.876 . . . . 0.0 110.385 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -55.77 -39.53 71.35 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.506 -1.371 . . . . 0.0 113.69 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -31.0 63.38 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.035 -1.041 . . . . 0.0 113.784 176.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.75 -38.5 73.5 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.451 1.1 . . . . 0.0 110.413 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.4 -43.08 91.76 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.338 1.055 . . . . 0.0 110.395 169.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -57.61 -37.64 73.59 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.044 -1.035 . . . . 0.0 111.619 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.09 -40.3 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.723 0.809 . . . . 0.0 112.173 175.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -54.67 -51.23 66.13 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.486 1.039 . . . . 0.0 110.403 169.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.62 -50.81 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.587 0.631 . . . . 0.0 111.013 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.02 -28.39 69.77 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -86.68 -45.4 11.02 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.43 -43.16 12.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.822 0.849 . . . . 0.0 112.936 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -112.88 45.07 1.39 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.842 2.457 . . . . 0.0 110.014 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.473 0.695 0 C-N-CA 127.494 2.317 . . . . 0.0 113.631 -169.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.43 -25.21 61.95 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.915 -1.116 . . . . 0.0 112.499 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.41 71.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.894 1.278 . . . . 0.0 113.188 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.99 -33.19 33.92 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.475 0.58 . . . . 0.0 110.739 169.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.42 -40.78 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.286 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -27.82 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.642 1.565 . . . . 0.0 112.984 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.19 -40.33 59.4 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.996 0.817 . . . . 0.0 112.55 170.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.86 -34.0 77.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.858 0.863 . . . . 0.0 111.888 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.58 -39.18 87.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.089 1.356 . . . . 0.0 110.992 169.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.41 -36.85 83.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.337 0.971 . . . . 0.0 113.04 171.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -66.73 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.706 1.139 . . . . 0.0 112.657 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.33 -44.64 19.16 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.893 1.677 . . . . 0.0 112.416 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.09 -15.12 63.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.493 1.917 . . . . 0.0 113.238 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.66 -18.04 4.09 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.754 1.622 . . . . 0.0 113.817 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.12 -33.15 73.92 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -148.04 -19.55 0.35 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -170.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t0 66.75 50.38 1.15 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.311 1.844 . . . . 0.0 111.802 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 176.39 -41.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.261 2.624 . . . . 0.0 111.849 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -145.35 154.16 42.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.442 1.497 . . . . 0.0 111.232 -170.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.6 t -111.71 105.1 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 127.513 2.325 . . . . 0.0 108.649 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -82.45 151.89 26.35 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 112.276 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.85 -40.13 63.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.396 1.478 . . . . 0.0 114.687 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.13 -39.2 89.69 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.66 -0.65 . . . . 0.0 112.002 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.93 -40.38 75.55 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.844 0.458 . . . . 0.0 111.093 173.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -57.73 -46.13 84.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.201 1.0 . . . . 0.0 113.132 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -43.76 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 120.033 1.288 . . . . 0.0 111.206 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 m -57.15 -44.19 83.2 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.161 0.985 . . . . 0.0 110.853 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.82 -40.84 79.3 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.528 1.531 . . . . 0.0 112.344 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.56 -26.12 68.27 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.601 1.091 . . . . 0.0 111.88 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.08 -38.13 93.72 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 118.99 0.814 . . . . 0.0 112.565 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.0 74.07 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.989 0.895 . . . . 0.0 111.778 170.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.21 -43.08 87.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.133 -0.979 . . . . 0.0 111.007 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.74 99.3 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.579 1.152 . . . . 0.0 112.686 173.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 ptm -71.75 -24.26 61.74 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.621 1.101 . . . . 0.0 113.404 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.41 -27.74 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.922 0.889 . . . . 0.0 111.818 170.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -77.01 54.16 1.01 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 122.454 1.121 . . . . 0.0 110.657 168.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -44.57 -36.05 2.84 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.742 2.817 . . . . 0.0 115.739 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.27 -25.78 66.23 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.819 0.736 . . . . 0.0 112.532 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.08 -20.08 63.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.714 0.806 . . . . 0.0 112.667 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.5 -4.75 33.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.041 1.736 . . . . 0.0 112.467 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -87.69 -48.29 7.99 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.46 1.104 . . . . 0.0 109.824 169.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 C-N-CA 126.514 2.007 . . . . 0.0 115.189 175.46 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.428 0.156 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.3 21.67 0.08 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.717 2.407 . . . . 0.0 112.127 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.7 p -44.71 -42.07 13.68 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.45 -38.6 14.36 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 123.307 2.217 . . . . 0.0 113.132 -171.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.25 -39.99 22.23 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.06 0.845 . . . . 0.0 112.183 170.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.39 -39.19 82.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.68 0.673 . . . . 0.0 112.513 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.27 -30.83 71.87 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.7 0.682 . . . . 0.0 112.287 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.28 -49.1 12.03 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.906 0.882 . . . . 0.0 112.451 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.64 -30.86 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.087 0.858 . . . . 0.0 111.517 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.76 -35.35 90.84 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.479 1.514 . . . . 0.0 112.983 172.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.27 78.09 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.714 1.206 . . . . 0.0 110.563 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.86 -40.52 80.38 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.998 0.919 . . . . 0.0 111.654 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -46.0 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.703 1.138 . . . . 0.0 111.548 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.76 -36.68 92.58 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 123.829 0.728 . . . . 0.0 114.131 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.54 -44.0 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.921 1.361 . . . . 0.0 111.505 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -74.06 -54.99 6.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.387 0.994 . . . . 0.0 113.589 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -68.15 -24.41 64.99 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -46.68 -47.52 20.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.714 1.205 . . . . 0.0 112.37 169.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -82.62 -34.36 27.6 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.998 1.319 . . . . 0.0 113.487 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.6 m -61.52 -43.07 99.53 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.884 -1.135 . . . . 0.0 112.297 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.29 -16.62 67.27 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.492 1.044 . . . . 0.0 113.527 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.45 -34.47 65.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.204 1.002 . . . . 0.0 112.172 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -77.18 -40.31 45.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.342 0.657 . . . . 0.0 110.452 169.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.03 -18.14 33.21 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 126.507 2.004 . . . . 0.0 116.657 169.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.71 -44.02 19.39 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.132 1.466 . . . . 0.0 113.356 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -150.05 166.77 28.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.978 1.711 . . . . 0.0 112.109 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -74.43 58.03 0.73 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.229 1.812 . . . . 0.0 113.233 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -136.78 165.17 26.55 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.22 2.208 . . . . 0.0 110.677 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -129.07 122.23 29.53 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.975 1.31 . . . . 0.0 109.971 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -78.28 169.12 18.78 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.827 0.822 . . . . 0.0 110.653 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -53.02 -47.79 68.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.146 1.378 . . . . 0.0 114.598 -169.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.92 -32.0 70.06 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.18 -39.39 63.22 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.242 . . . . 0.0 111.457 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.64 -47.58 84.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.391 1.076 . . . . 0.0 110.499 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -57.76 -37.82 74.33 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.704 0.684 . . . . 0.0 112.406 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -64.69 -39.78 94.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.645 0.657 . . . . 0.0 112.428 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.04 -56.25 24.7 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.771 0.828 . . . . 0.0 110.291 169.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.92 -45.88 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 118.133 0.424 . . . . 0.0 111.125 -172.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.94 -20.3 59.74 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.838 0.744 . . . . 0.0 112.821 -175.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -86.17 -51.71 6.12 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.567 1.076 . . . . 0.0 113.398 169.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.74 -34.53 21.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.098 0.959 . . . . 0.0 112.279 -169.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 18.3 mt -117.84 45.11 2.03 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.795 2.038 . . . . 0.0 109.829 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.473 0.698 0 C-N-CA 126.638 1.975 . . . . 0.0 114.755 -169.1 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.36 -39.0 45.18 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.333 1.853 . . . . 0.0 113.905 -174.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.26 69.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.83 0.852 . . . . 0.0 113.179 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -81.35 -39.84 24.45 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.811 0.845 . . . . 0.0 110.698 169.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -63.0 -39.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.496 0.718 . . . . 0.0 112.082 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.92 -31.62 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.611 1.096 . . . . 0.0 112.435 175.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -78.47 -28.65 46.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.014 0.825 . . . . 0.0 112.557 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.91 -42.07 86.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.988 0.915 . . . . 0.0 109.838 168.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.07 -36.95 85.31 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.916 1.286 . . . . 0.0 111.19 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.13 -20.2 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.748 1.219 . . . . 0.0 113.515 172.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -80.63 -39.98 26.43 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 111.027 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.46 -38.57 77.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.219 1.408 . . . . 0.0 111.103 169.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.69 -31.44 69.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.037 1.335 . . . . 0.0 113.309 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 -71.55 -14.39 62.08 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.355 -0.841 . . . . 0.0 113.002 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.58 -27.96 26.9 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.409 1.004 . . . . 0.0 111.965 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -161.48 124.95 3.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.18 1.392 . . . . 0.0 112.952 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.49 131.6 51.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.607 1.563 . . . . 0.0 113.1 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.46 -63.51 0.3 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 128.237 2.615 . . . . 0.0 110.022 176.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.71 134.98 47.37 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.068 2.147 . . . . 0.0 109.934 -171.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.16 115.28 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.121 0.968 . . . . 0.0 111.855 -169.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -80.04 161.38 25.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.708 1.603 . . . . 0.0 112.061 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -49.57 -58.3 5.48 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -29.41 68.29 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.042 -1.036 . . . . 0.0 111.861 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -73.73 -32.88 64.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.39 2.276 . . . . 0.0 111.257 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -69.84 -40.24 75.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.167 1.387 . . . . 0.0 111.426 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.92 -32.24 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 120.789 -1.194 . . . . 0.0 111.589 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.0 m -59.74 -40.19 87.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.766 0.827 . . . . 0.0 111.131 172.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.75 -38.82 87.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.786 -0.626 . . . . 0.0 112.46 171.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -25.7 67.95 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.647 1.112 . . . . 0.0 112.067 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.31 86.21 Favored Glycine 0 N--CA 1.468 0.807 0 C-N-CA 124.12 0.867 . . . . 0.0 111.995 169.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.05 99.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.229 1.014 . . . . 0.0 112.059 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.54 -38.93 92.99 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.165 -0.96 . . . . 0.0 111.7 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.67 76.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.06 0.944 . . . . 0.0 112.984 171.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -71.37 -27.85 63.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.74 -37.26 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 0.0 110.797 169.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -74.74 46.79 0.3 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.069 1.348 . . . . 0.0 110.597 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.78 -30.7 34.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.69 2.796 . . . . 0.0 116.585 -168.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.97 -34.9 72.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.095 0.861 . . . . 0.0 112.265 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 -16.5 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -96.47 -26.61 15.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.287 1.435 . . . . 0.0 112.759 172.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt . . . . . 0 CA--C 1.543 0.705 0 CA-C-N 118.941 0.792 . . . . 0.0 112.865 175.609 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 CA-C-O 118.034 -1.425 . . . . 0.0 116.168 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.44 -42.8 78.71 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.83 2.315 . . . . 0.0 112.636 -177.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.48 67.0 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.395 1.078 . . . . 0.0 113.5 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -77.06 -23.43 52.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.933 1.242 . . . . 0.0 112.281 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.96 -45.5 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 109.159 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.25 -26.24 67.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.155 1.382 . . . . 0.0 112.173 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.8 -31.89 72.14 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.069 -1.019 . . . . 0.0 112.362 169.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -71.46 -17.7 62.35 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.15 -0.969 . . . . 0.0 112.769 174.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 29.0 mm -92.68 -35.17 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.638 1.575 . . . . 0.0 110.866 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -53.91 -41.35 67.57 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.259 1.423 . . . . 0.0 111.887 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.75 -4.94 34.51 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -97.53 -47.69 5.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.357 1.063 . . . . 0.0 109.6 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 29.77 -127.96 0.12 Allowed Glycine 0 C--N 1.343 0.945 0 C-N-CA 128.815 3.102 . . . . 0.0 117.035 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -167.26 -149.95 0.1 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.463 2.305 . . . . 0.0 110.132 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.26 -13.84 0.21 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.305 1.842 . . . . 0.0 113.605 -174.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.41 -19.64 66.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 19.6 mmt -48.5 -46.91 39.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.548 1.139 . . . . 0.0 112.465 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -63.94 -24.15 67.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -94.92 -19.95 19.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.936 1.695 . . . . 0.0 113.357 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 38.9 m -94.73 -51.57 4.66 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.688 1.195 . . . . 0.0 111.438 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.8 -40.28 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.945 0.898 . . . . 0.0 111.257 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.16 -65.75 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.499 1.12 . . . . 0.0 112.189 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -61.4 -36.72 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.329 -0.857 . . . . 0.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.11 77.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 1.3 t90 . . . . . 0 CA--C 1.543 0.701 0 CA-C-N 118.671 0.669 . . . . 0.0 111.979 172.437 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.134 0 N-CA-C 112.166 -0.374 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -54.62 -39.9 68.39 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.451 1.101 . . . . 0.0 113.388 -173.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -27.69 33.65 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.277 1.431 . . . . 0.0 114.149 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.11 -8.8 58.71 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.562 1.074 . . . . 0.0 113.648 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.48 -39.15 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.643 1.577 . . . . 0.0 109.036 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.67 -39.02 86.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.317 1.447 . . . . 0.0 111.077 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.84 -36.96 50.09 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.311 1.444 . . . . 0.0 112.971 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.4 -25.17 66.64 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.324 -0.86 . . . . 0.0 112.71 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.25 -43.75 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.024 0.93 . . . . 0.0 110.351 172.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -53.33 -39.55 64.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.644 1.178 . . . . 0.0 113.927 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.18 -6.4 34.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -108.97 -40.91 4.87 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.981 1.713 . . . . 0.0 111.159 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 73.07 -150.83 44.69 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.966 1.746 . . . . 0.0 113.539 173.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -154.91 145.26 22.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.017 1.327 . . . . 0.0 110.778 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -69.57 -17.96 63.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.048 0.939 . . . . 0.0 113.515 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.48 -22.57 28.17 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -45.95 75.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.567 1.076 . . . . 0.0 110.986 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -19.87 66.08 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 51.6 ttp85 -85.44 -22.16 28.43 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.615 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 99.8 m -93.1 -49.74 5.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.914 1.685 . . . . 0.0 112.002 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.15 -32.66 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.63 0.65 . . . . 0.0 111.197 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -54.92 -59.99 3.98 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.856 0.862 . . . . 0.0 111.679 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.65 -35.12 79.48 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.974 -1.079 . . . . 0.0 112.937 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.2 67.57 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 85.9 t90 . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 123.762 0.825 . . . . 0.0 111.522 170.036 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -53.41 -36.44 38.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -170.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.87 -34.87 13.37 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 123.052 2.501 . . . . 0.0 113.155 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.9 tp -80.42 -38.27 30.48 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 111.629 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -60.83 -39.99 91.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.025 0.93 . . . . 0.0 111.692 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.25 -18.49 63.14 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.91 -52.84 6.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.208 0.913 . . . . 0.0 112.545 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 pt -65.01 -30.99 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 120.221 1.373 . . . . 0.0 112.02 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -24.46 74.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.343 0.973 . . . . 0.0 112.777 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -52.74 51.96 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.831 1.316 . . . . 0.0 109.887 171.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.62 -42.83 75.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.631 1.172 . . . . 0.0 110.851 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.07 -49.56 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 118.73 0.695 . . . . 0.0 111.932 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.73 -32.51 74.34 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.832 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -63.66 -52.02 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.294 1.047 . . . . 0.0 110.267 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.07 -48.68 77.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 111.807 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -26.98 64.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 28.4 ttpt -60.21 -43.01 96.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.105 0.866 . . . . 0.0 111.156 173.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CE2' ' HE2' ' A' ' 18' ' ' LYS . 63.6 m-85 -82.21 -38.4 24.62 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 76.9 p -65.24 -10.78 34.8 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.7 -6.0 89.19 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.885 -0.953 . . . . 0.0 114.762 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt . . . . . 0 CA--C 1.545 0.773 0 CA-C-N 119.317 1.558 . . . . 0.0 112.691 177.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.3 pttt . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 17.27 2.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.34 1.456 . . . . 0.0 114.721 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -159.5 143.78 15.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 113.354 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -113.55 153.53 28.63 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.191 1.796 . . . . 0.0 109.35 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -76.57 164.32 26.05 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.185 -0.947 . . . . 0.0 110.504 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.04 -36.0 72.12 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.128 -1.608 . . . . 0.0 113.392 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -75.24 -38.01 60.78 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 112.741 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -67.33 -40.6 85.91 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.31 1.044 . . . . 0.0 111.009 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.77 -47.43 84.74 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.555 1.142 . . . . 0.0 109.003 169.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -52.71 -36.01 56.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.994 0.816 . . . . 0.0 112.901 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.7 -48.53 76.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.427 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.89 -53.54 47.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.663 1.585 . . . . 0.0 111.548 172.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.2 pt -72.19 -26.81 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.28 -31.84 73.2 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.774 1.17 . . . . 0.0 111.905 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -62.53 1.64 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.675 0.79 . . . . 0.0 111.353 170.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -78.25 -33.11 49.91 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 -167.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -118.96 42.3 2.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.55 1.54 . . . . 0.0 109.805 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -168.829 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.37 -29.98 69.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.302 0.955 . . . . 0.0 113.164 -176.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.1 -27.78 68.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 112.928 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -80.09 -38.77 31.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.975 0.91 . . . . 0.0 110.519 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -61.02 -43.96 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.164 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.7 m -66.06 -26.6 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 119.978 1.263 . . . . 0.0 113.049 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.88 -37.22 35.29 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.397 0.999 . . . . 0.0 112.494 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.06 -41.01 97.71 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.88 1.218 . . . . 0.0 110.845 169.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.49 -45.47 91.58 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.13 1.372 . . . . 0.0 111.085 172.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.06 -44.53 96.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.643 0.777 . . . . 0.0 112.001 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.65 -29.38 69.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.201 0.91 . . . . 0.0 112.759 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.18 -51.95 21.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.13 1.372 . . . . 0.0 112.015 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -72.26 -27.81 62.73 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.223 1.809 . . . . 0.0 113.686 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -10.62 60.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.936 1.088 . . . . 0.0 113.936 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -71.69 -19.81 62.02 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 112.246 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.93 -97.19 0.44 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.798 1.639 . . . . 0.0 111.822 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -163.08 -71.46 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.107 1.363 . . . . 0.0 112.397 -170.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -142.77 20.24 1.99 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.334 1.853 . . . . 0.0 111.793 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -156.88 162.94 39.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.231 1.812 . . . . 0.0 111.175 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.56 112.3 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.178 1.391 . . . . 0.0 109.249 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -79.78 168.62 19.06 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.57 -36.7 84.65 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -173.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -66.9 -46.5 74.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.589 -0.694 . . . . 0.0 110.681 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.51 -36.11 81.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.733 0.813 . . . . 0.0 112.265 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -55.44 -51.8 65.73 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.906 0.882 . . . . 0.0 111.643 170.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.51 -39.53 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.887 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.3 m -60.05 -36.11 76.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.247 1.019 . . . . 0.0 111.596 172.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -72.94 -35.61 67.03 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 112.766 173.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.9 -29.65 70.35 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.425 1.466 . . . . 0.0 111.493 170.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.01 -35.85 92.36 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 123.966 0.793 . . . . 0.0 113.353 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.5 62.0 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.476 1.138 . . . . 0.0 112.089 169.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.41 -45.21 76.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.935 1.294 . . . . 0.0 111.177 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.8 69.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.977 1.311 . . . . 0.0 113.789 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.4 tmm? -77.45 -35.73 53.66 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.16 -35.21 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.613 1.097 . . . . 0.0 110.88 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -72.32 39.4 0.08 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.81 1.644 . . . . 0.0 112.629 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.5 -30.36 0.56 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 129.699 3.199 . . . . 0.0 118.641 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.19 -32.33 66.35 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 121.598 1.999 . . . . 0.0 112.919 173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -18.15 62.39 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.196 1.398 . . . . 0.0 113.959 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.86 17.11 10.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.255 1.822 . . . . 0.0 113.233 175.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -73.95 -28.33 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.261 -1.524 . . . . 0.0 111.719 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 C-N-CA 125.697 1.618 . . . . 0.0 113.766 176.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 119.721 -0.181 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.86 -20.93 26.76 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.031 0.933 . . . . 0.0 112.867 170.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -46.0 -35.91 4.74 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.33 -44.85 21.05 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.564 2.176 . . . . 0.0 113.293 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 26.7 tp -79.51 -36.73 38.1 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.796 0.725 . . . . 0.0 111.536 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.75 -34.36 78.14 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.362 0.665 . . . . 0.0 112.509 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -74.36 -31.8 62.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.736 0.698 . . . . 0.0 111.749 171.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.17 66.19 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.457 1.026 . . . . 0.0 111.962 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -66.85 -31.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.105 -0.997 . . . . 0.0 111.211 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -28.97 72.99 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.727 1.155 . . . . 0.0 113.417 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -49.84 63.27 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.539 1.17 . . . . 0.0 110.654 174.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.99 -41.29 91.74 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.813 0.845 . . . . 0.0 111.282 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.5 mt -65.51 -44.84 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.473 0.579 . . . . 0.0 110.898 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -34.23 81.71 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.644 1.116 . . . . 0.0 113.071 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 23.0 mt -68.66 -53.26 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 117.909 0.854 . . . . 0.0 109.888 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.82 -55.7 29.95 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.52 -22.97 64.49 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -168.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -53.41 -41.81 66.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.123 0.969 . . . . 0.0 112.294 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -80.95 -37.7 28.99 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.2 m -52.16 -24.72 7.51 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.08 -6.29 84.93 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 118.854 -0.97 . . . . 0.0 115.118 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -80.97 -39.27 26.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.24 1.52 . . . . 0.0 113.502 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -142.29 -32.12 0.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.651 1.18 . . . . 0.0 113.279 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -138.11 5.42 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.865 1.698 . . . . 0.0 114.137 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.7 166.45 24.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.216 1.806 . . . . 0.0 110.113 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.86 16.47 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 117.83 2.529 . . . . 0.0 117.83 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -153.01 10.6 0.46 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.722 1.609 . . . . 0.0 114.151 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -150.46 166.18 30.92 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.938 1.295 . . . . 0.0 112.312 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.61 135.83 47.27 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 126.134 1.774 . . . . 0.0 109.306 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 t -78.31 148.45 33.8 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.557 -0.715 . . . . 0.0 109.823 169.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -58.34 -28.09 64.77 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.986 -1.696 . . . . 0.0 115.32 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -79.67 -27.1 40.83 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.35 -38.36 55.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.283 1.833 . . . . 0.0 109.897 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.99 -39.79 91.03 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.95 2.1 . . . . 0.0 110.971 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.98 -34.79 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.065 -1.647 . . . . 0.0 113.372 170.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -66.53 -42.05 87.83 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.627 0.649 . . . . 0.0 110.672 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.79 -54.07 50.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.166 170.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.56 -46.71 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 120.359 1.436 . . . . 0.0 111.885 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.73 -31.76 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.282 0.492 . . . . 0.0 111.973 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -85.32 -35.55 21.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.426 1.09 . . . . 0.0 112.906 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.23 -63.99 0.96 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.468 1.907 . . . . 0.0 110.129 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -85.23 -63.41 1.33 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.737 -0.602 . . . . 0.0 111.082 -173.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 125.934 1.693 . . . . 0.0 109.615 -174.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 110.738 -0.097 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.68 -37.65 87.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.214 1.006 . . . . 0.0 112.687 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -24.13 67.53 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.925 0.89 . . . . 0.0 113.042 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 -41.27 24.07 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.321 0.648 . . . . 0.0 110.293 169.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.38 -41.44 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.338 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -68.96 -24.47 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 119.489 1.04 . . . . 0.0 113.074 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.43 -36.84 33.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.065 0.848 . . . . 0.0 111.958 169.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.55 -40.64 84.98 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.54 -0.725 . . . . 0.0 111.691 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -28.83 69.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.642 0.655 . . . . 0.0 111.869 176.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.93 -28.02 64.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.094 1.358 . . . . 0.0 112.47 170.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.6 -26.24 37.96 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -47.77 33.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 111.296 170.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.11 -1.48 26.27 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.28 1.432 . . . . 0.0 113.427 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -57.23 -23.4 47.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.11 1.364 . . . . 0.0 112.478 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -78.62 -8.49 58.69 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.004 1.721 . . . . 0.0 113.691 174.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -148.99 -107.62 0.08 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.096 1.359 . . . . 0.0 112.518 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 166.64 -15.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 129.62 3.168 . . . . 0.0 113.987 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -147.48 -29.23 0.35 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -160.17 153.08 21.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.939 0.895 . . . . 0.0 112.184 -169.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.54 116.74 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.194 1.797 . . . . 0.0 109.212 -172.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -77.59 155.57 31.4 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.209 1.004 . . . . 0.0 111.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.27 -46.66 36.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.367 1.467 . . . . 0.0 114.723 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -69.62 -32.92 71.92 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.049 0.84 . . . . 0.0 111.757 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -70.41 -36.41 74.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.088 0.955 . . . . 0.0 111.677 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.92 -45.51 93.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.929 0.891 . . . . 0.0 111.826 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.0 -35.46 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.27 -0.894 . . . . 0.0 111.774 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 43.4 m -59.09 -45.36 91.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.951 1.301 . . . . 0.0 110.709 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.2 -39.75 95.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.354 0.662 . . . . 0.0 112.456 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.43 -23.83 67.42 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.591 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.57 95.29 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.604 1.093 . . . . 0.0 111.656 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.4 81.97 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.061 0.93 . . . . 0.0 112.414 172.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.55 -39.66 94.15 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.39 0.676 . . . . 0.0 111.398 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.99 95.6 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.99 1.316 . . . . 0.0 112.266 172.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.3 tpt -65.1 -31.37 72.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.76 0.824 . . . . 0.0 112.304 174.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.26 -27.01 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.071 0.948 . . . . 0.0 112.814 172.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -77.5 49.12 0.7 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.387 0.994 . . . . 0.0 111.647 169.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -53.11 -25.3 12.57 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.268 1.827 . . . . 0.0 114.953 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.77 -39.1 73.44 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.38 1.072 . . . . 0.0 112.336 171.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.99 66.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.168 0.987 . . . . 0.0 112.305 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.89 1.11 24.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.403 1.481 . . . . 0.0 112.597 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt . . . . . 0 CA--C 1.545 0.776 0 CA-C-N 119.85 1.205 . . . . 0.0 113.234 169.75 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.184 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -54.28 -34.85 61.76 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.597 1.159 . . . . 0.0 113.741 -171.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -50.71 -29.37 11.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.937 1.695 . . . . 0.0 113.358 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -65.58 -22.82 66.72 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.697 1.199 . . . . 0.0 113.696 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 78.4 t -98.44 -40.46 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.668 1.587 . . . . 0.0 109.703 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.09 -38.0 89.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.946 1.298 . . . . 0.0 111.244 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.64 -18.0 64.54 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -70.83 -23.6 62.37 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.142 -0.974 . . . . 0.0 112.651 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 95.5 mt -76.57 -32.01 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.095 1.358 . . . . 0.0 111.231 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -53.36 -40.8 65.23 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.314 1.045 . . . . 0.0 112.664 171.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -72.13 -0.41 11.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.732 1.613 . . . . 0.0 113.917 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.87 -27.5 66.72 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.239 1.016 . . . . 0.0 112.175 170.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.25 44.64 27.84 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.304 0.954 . . . . 0.0 114.855 169.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.07 132.65 53.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.053 0.927 . . . . 0.0 113.475 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -82.68 -26.2 32.31 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.36 -23.6 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.017 0.826 . . . . 0.0 112.613 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 13.5 tpt -59.99 -46.03 90.79 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.536 0.607 . . . . 0.0 110.222 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -58.28 -33.77 69.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.293 1.037 . . . . 0.0 112.465 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -74.89 -41.19 60.23 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.708 0.685 . . . . 0.0 111.441 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.0 m -63.24 -43.07 99.07 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.33 1.452 . . . . 0.0 111.924 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.35 -33.41 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.818 0.847 . . . . 0.0 112.411 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.54 -56.03 5.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.492 0.717 . . . . 0.0 112.603 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -72.58 -31.26 65.09 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -172.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.17 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.949 1.3 . . . . 0.0 114.358 -173.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 124.514 1.125 . . . . 0.0 112.217 173.068 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.737 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -55.11 -42.29 72.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.744 1.217 . . . . 0.0 113.255 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -55.68 -34.64 65.22 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.571 1.148 . . . . 0.0 112.725 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.01 -22.76 66.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.02 0.928 . . . . 0.0 113.368 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.17 -43.14 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.543 1.537 . . . . 0.0 109.791 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.78 -32.01 72.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.5 1.52 . . . . 0.0 111.994 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.16 -36.2 77.02 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.344 -0.847 . . . . 0.0 112.124 171.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -68.89 -19.29 64.22 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.7 mt -89.89 -42.6 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.184 1.394 . . . . 0.0 110.833 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.85 -44.38 66.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.215 1.006 . . . . 0.0 113.056 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.55 -1.32 20.93 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -75.25 -25.88 58.4 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 137.32 -153.18 21.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.738 1.161 . . . . 0.0 114.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 78.75 143.71 0.08 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 129.534 3.134 . . . . 0.0 112.274 -175.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -144.71 14.42 1.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -169.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -83.65 -20.09 34.22 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.823 -1.173 . . . . 0.0 113.929 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.07 -56.32 23.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.183 0.993 . . . . 0.0 109.833 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -61.18 -28.85 69.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.843 1.257 . . . . 0.0 113.78 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.14 -37.34 72.27 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.531 1.06 . . . . 0.0 111.334 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 29.7 m -73.75 -46.58 44.94 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.194 0.998 . . . . 0.0 111.075 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.02 -40.33 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.598 1.159 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.94 -59.25 5.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.422 0.556 . . . . 0.0 111.859 173.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -62.99 -36.44 83.55 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.749 1.159 . . . . 0.0 113.052 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.61 65.17 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 122.984 0.513 . . . . 0.0 110.32 169.241 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -59.71 -29.42 5.77 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.13 -42.55 17.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.583 2.189 . . . . 0.0 112.395 170.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 tp -74.39 -39.04 62.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.724 0.693 . . . . 0.0 111.714 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.4 -43.41 88.54 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.401 1.081 . . . . 0.0 112.752 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -73.5 -13.81 61.11 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.77 -53.66 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.95 -1.094 . . . . 0.0 111.591 169.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 pt -61.46 -35.62 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.563 1.074 . . . . 0.0 112.063 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.51 67.93 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.894 1.235 . . . . 0.0 113.871 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -57.1 5.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.795 1.238 . . . . 0.0 109.62 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.11 -36.71 68.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.781 1.232 . . . . 0.0 111.805 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -44.5 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 118.757 0.708 . . . . 0.0 111.634 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.27 -34.18 51.88 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.382 -0.677 . . . . 0.0 112.888 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -57.28 -48.55 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.152 0.976 . . . . 0.0 110.643 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -70.3 -53.88 14.96 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.784 0.833 . . . . 0.0 112.093 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.54 -20.38 62.81 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -54.18 -39.09 66.31 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.8 0.84 . . . . 0.0 111.21 169.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -83.0 -30.46 28.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.369 1.468 . . . . 0.0 114.581 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -65.74 -46.44 78.84 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.183 0.901 . . . . 0.0 112.094 169.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.87 -13.83 69.72 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.356 1.455 . . . . 0.0 114.37 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 124.32 1.048 . . . . 0.0 111.07 169.679 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 119.633 -0.222 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -73.78 37.09 0.09 Allowed 'General case' 0 CA--C 1.559 1.302 0 O-C-N 120.025 -1.672 . . . . 0.0 114.856 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.86 158.63 43.85 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.377 2.271 . . . . 0.0 111.172 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 pp -160.36 164.31 32.55 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.722 1.609 . . . . 0.0 111.386 169.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 p -78.61 155.62 29.5 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.198 -1.564 . . . . 0.0 112.359 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -62.1 -24.25 67.01 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.759 -1.213 . . . . 0.0 113.862 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.08 -44.64 65.28 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.96 -1.087 . . . . 0.0 111.724 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.18 -31.33 71.65 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.672 0.789 . . . . 0.0 112.151 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.24 -48.98 79.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.189 1.396 . . . . 0.0 110.213 169.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.27 -32.7 74.39 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.729 -1.232 . . . . 0.0 111.799 175.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.57 -44.41 97.08 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.746 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.46 1.104 . . . . 0.0 110.779 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.83 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 117.868 0.304 . . . . 0.0 111.148 -176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -76.08 -23.54 55.0 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.614 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -87.58 -39.14 15.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 171.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -86.48 -56.53 3.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.111 0.869 . . . . 0.0 110.875 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.72 48.08 1.34 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.5 1.52 . . . . 0.0 110.747 -169.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 128.573 2.749 . . . . 0.0 114.008 -169.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 118.623 -0.703 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -54.8 -33.59 61.68 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.148 1.34 . . . . 0.0 113.337 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -28.14 69.58 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.576 1.15 . . . . 0.0 113.479 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -80.85 -42.02 22.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.169 0.988 . . . . 0.0 110.299 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -64.33 -36.7 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.469 -0.769 . . . . 0.0 111.763 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.22 -31.13 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.784 1.174 . . . . 0.0 112.503 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -74.79 -31.39 61.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.226 0.921 . . . . 0.0 112.044 173.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -67.08 -40.33 86.96 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.465 -0.772 . . . . 0.0 110.995 169.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -64.18 -35.04 79.51 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.48 1.112 . . . . 0.0 111.755 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.6 -29.04 69.59 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.887 1.275 . . . . 0.0 113.426 169.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.67 -26.93 37.29 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.94 -1.1 . . . . 0.0 112.804 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.83 -36.09 67.41 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.308 -0.87 . . . . 0.0 110.384 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.16 -28.08 69.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.023 1.329 . . . . 0.0 112.099 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.04 -29.34 70.23 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.529 -0.732 . . . . 0.0 112.152 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -76.16 -35.8 59.03 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.689 0.677 . . . . 0.0 112.479 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -157.67 121.41 4.11 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.55 1.54 . . . . 0.0 110.611 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.27 130.59 46.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.418 1.487 . . . . 0.0 113.503 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 72.3 -43.55 0.57 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.497 2.719 . . . . 0.0 114.186 169.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -124.32 115.56 21.2 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.233 2.213 . . . . 0.0 108.651 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.72 118.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 125.277 1.431 . . . . 0.0 108.189 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -83.67 150.28 25.97 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.267 1.027 . . . . 0.0 110.449 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.61 -42.62 62.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.175 1.39 . . . . 0.0 114.567 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.54 -42.92 95.44 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 111.061 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.47 -27.09 62.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.848 1.259 . . . . 0.0 112.324 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.65 -45.53 78.71 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.461 1.104 . . . . 0.0 111.04 169.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.1 mt -70.17 -32.59 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.209 -0.932 . . . . 0.0 111.362 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.9 m -58.19 -38.53 76.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.387 1.075 . . . . 0.0 111.315 172.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -69.78 -41.6 74.92 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.56 0.744 . . . . 0.0 112.439 172.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.21 -27.8 66.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.351 0.978 . . . . 0.0 111.606 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.67 -27.52 73.28 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.079 1.323 . . . . 0.0 114.147 171.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.24 -44.04 18.35 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.099 1.449 . . . . 0.0 110.788 169.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -53.71 -43.46 69.02 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.072 1.349 . . . . 0.0 111.618 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.95 -27.66 45.3 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.687 1.595 . . . . 0.0 114.019 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -80.27 -31.47 38.36 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.578 1.151 . . . . 0.0 112.648 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.32 -35.83 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.145 0.978 . . . . 0.0 110.163 170.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.81 39.33 0.07 Allowed 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.543 2.337 . . . . 0.0 112.987 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.77 -22.97 10.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 128.589 2.756 . . . . 0.0 118.138 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.23 -19.13 65.82 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 121.368 1.894 . . . . 0.0 112.635 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.6 64.23 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.269 0.94 . . . . 0.0 113.414 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.67 -18.99 26.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.063 1.345 . . . . 0.0 111.536 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -89.53 -44.66 9.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.665 1.586 . . . . 0.0 112.034 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 C-N-CA 126.439 1.971 . . . . 0.0 112.283 -173.182 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.77 -13.89 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.1 p -49.41 -42.4 64.86 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -65.56 -27.56 53.58 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.926 2.417 . . . . 0.0 113.878 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 tp -82.64 -38.77 23.02 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.578 1.081 . . . . 0.0 112.169 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.14 -36.07 76.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.306 1.042 . . . . 0.0 112.492 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -72.17 -19.53 61.74 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 172.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.02 -54.47 5.04 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.553 1.069 . . . . 0.0 112.202 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.44 -35.88 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.42 -0.8 . . . . 0.0 111.145 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.7 -24.16 67.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 121.489 -0.757 . . . . 0.0 113.166 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -52.55 19.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.947 1.374 . . . . 0.0 109.551 176.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.58 -42.49 83.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.842 0.857 . . . . 0.0 111.241 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.27 -43.86 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.545 0.611 . . . . 0.0 111.08 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.75 -31.47 73.17 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.51 1.052 . . . . 0.0 112.897 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mt -69.01 -54.99 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.31 -59.1 5.64 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.793 1.237 . . . . 0.0 113.676 -172.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -69.94 -17.21 63.31 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -169.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.54 -38.35 80.8 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.734 -1.229 . . . . 0.0 112.673 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -79.02 -33.28 45.02 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -74.74 -40.41 61.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.071 0.851 . . . . 0.0 110.777 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.32 -16.06 13.45 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 126.237 1.875 . . . . 0.0 114.398 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.18 -35.79 70.02 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.124 1.369 . . . . 0.0 112.033 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -127.18 -24.54 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.235 1.414 . . . . 0.0 114.323 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.87 165.26 38.76 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-N 119.96 1.255 . . . . 0.0 114.664 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -74.58 -9.14 58.28 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.96 151.16 26.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.197 1.399 . . . . 0.0 113.547 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 33.44 1.82 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.137 1.775 . . . . 0.0 113.418 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -124.73 135.56 53.11 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.167 1.787 . . . . 0.0 110.123 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -108.23 129.75 55.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.538 1.135 . . . . 0.0 111.191 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -79.47 161.34 26.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.696 0.798 . . . . 0.0 112.457 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -48.97 -52.5 24.5 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.487 -1.383 . . . . 0.0 113.358 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -66.72 -31.28 71.84 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.804 1.642 . . . . 0.0 113.135 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.25 -35.68 58.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.441 1.896 . . . . 0.0 110.624 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.42 -42.09 75.48 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.558 1.143 . . . . 0.0 110.074 169.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -60.68 -36.33 78.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.734 -1.229 . . . . 0.0 111.711 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.02 -45.32 89.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.328 1.051 . . . . 0.0 112.141 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.81 -49.05 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.457 1.103 . . . . 0.0 111.927 170.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.92 -54.06 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 118.433 0.56 . . . . 0.0 111.812 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -65.07 -29.35 70.23 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -86.33 -46.6 10.14 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -85.52 -44.62 12.53 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.94 0.791 . . . . 0.0 111.231 -172.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.43 -69.73 0.56 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.305 0.957 . . . . 0.0 108.433 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.486 1.334 1 C-N-CA 132.931 4.493 . . . . 0.0 107.895 -176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 CA--C 1.538 0.492 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.03 -32.79 72.4 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.834 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.59 -27.63 68.77 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.704 1.202 . . . . 0.0 113.324 169.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.77 -39.78 26.25 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.607 0.763 . . . . 0.0 110.768 170.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.8 -37.55 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.102 -0.952 . . . . 0.0 112.167 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.78 -30.54 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.416 1.462 . . . . 0.0 112.278 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -73.4 -38.14 65.71 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.479 -0.763 . . . . 0.0 112.094 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.35 -37.08 84.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.326 -0.859 . . . . 0.0 111.803 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -60.33 -39.05 85.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.013 0.925 . . . . 0.0 111.319 170.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.86 -31.61 72.93 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.348 1.059 . . . . 0.0 113.581 170.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.75 -20.28 58.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.321 1.048 . . . . 0.0 113.741 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -81.08 -43.19 19.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.477 1.111 . . . . 0.0 110.359 169.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.64 -18.92 61.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.02 1.728 . . . . 0.0 113.372 171.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -53.84 -33.2 55.53 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.155 1.382 . . . . 0.0 112.327 170.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.51 -42.08 68.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.943 0.897 . . . . 0.0 112.682 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -163.2 133.78 4.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.331 1.852 . . . . 0.0 110.793 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.58 136.17 47.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.884 0.873 . . . . 0.0 113.009 -174.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 76.04 -28.02 0.18 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 129.194 2.998 . . . . 0.0 113.075 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -153.69 140.9 19.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.0 1.72 . . . . 0.0 110.55 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.39 130.44 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.712 2.005 . . . . 0.0 108.802 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.94 159.26 26.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.844 0.83 . . . . 0.0 112.699 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.13 -56.15 1.51 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.862 2.465 . . . . 0.0 114.714 171.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.26 -35.79 82.0 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.485 1.039 . . . . 0.0 111.836 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.82 -32.68 65.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.63 1.172 . . . . 0.0 112.051 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.59 -44.46 90.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.063 0.945 . . . . 0.0 111.358 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 49.6 mm -63.87 -42.07 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 O-C-N 121.617 -0.677 . . . . 0.0 111.012 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.7 m -59.09 -45.1 91.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.236 1.414 . . . . 0.0 111.048 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.44 -41.58 96.48 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.172 0.589 . . . . 0.0 112.27 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.33 -28.78 68.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.291 0.95 . . . . 0.0 112.198 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.7 91.4 Favored Glycine 0 N--CA 1.468 0.812 0 CA-C-N 119.026 0.83 . . . . 0.0 112.589 170.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.54 95.11 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.926 0.863 . . . . 0.0 112.157 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.29 -46.4 88.65 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.683 1.193 . . . . 0.0 110.963 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.4 72.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.28 1.032 . . . . 0.0 112.545 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.6 ttt -69.28 -24.24 63.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.977 0.911 . . . . 0.0 112.78 175.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.25 -25.33 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.046 0.839 . . . . 0.0 111.205 173.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -73.38 44.41 0.15 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.693 1.235 . . . . 0.0 110.876 168.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.04 -14.63 50.45 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.793 2.037 . . . . 0.0 115.132 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -54.99 -34.22 63.21 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.821 1.191 . . . . 0.0 111.693 169.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.98 52.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.537 1.535 . . . . 0.0 114.536 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 70.2 mt -124.75 -19.24 5.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.0 2.12 . . . . 0.0 112.97 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 125.954 1.701 . . . . 0.0 112.196 174.914 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.274 0 N-CA-C 115.627 1.011 . . . . 0.0 115.627 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.24 -69.2 0.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.054 1.342 . . . . 0.0 110.112 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -57.08 -29.26 63.32 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.336 1.055 . . . . 0.0 112.399 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.87 -23.7 67.45 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 63.2 t -95.95 -34.06 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.399 1.08 . . . . 0.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.57 -29.42 65.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.189 1.396 . . . . 0.0 111.798 173.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -57.38 -30.64 65.06 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.774 1.23 . . . . 0.0 112.582 170.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.48 -20.81 66.42 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.779 0.832 . . . . 0.0 112.732 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 23.9 mt -88.05 -45.59 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.096 1.359 . . . . 0.0 111.142 170.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -54.86 -39.89 69.12 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.92 -9.16 57.26 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -98.92 -46.6 5.57 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.358 1.463 . . . . 0.0 109.82 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 66.91 -153.69 52.76 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.317 1.437 . . . . 0.0 115.3 169.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -159.52 156.87 28.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.166 1.786 . . . . 0.0 110.605 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -95.47 -23.59 17.05 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.609 1.564 . . . . 0.0 112.36 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -76.03 -21.43 56.85 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.452 -0.78 . . . . 0.0 113.028 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 51.7 tpp -54.81 -46.0 74.45 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.331 1.052 . . . . 0.0 110.547 171.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -57.87 -39.73 78.51 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.445 1.098 . . . . 0.0 112.195 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -75.52 -33.77 60.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.099 0.96 . . . . 0.0 112.405 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 44.1 m -72.86 -38.13 67.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.298 1.039 . . . . 0.0 112.077 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.21 -45.76 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.745 0.702 . . . . 0.0 109.716 174.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.45 -48.95 79.68 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.507 -0.746 . . . . 0.0 112.179 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -49.45 -56.27 10.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.94 1.296 . . . . 0.0 111.278 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.72 -21.9 66.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 13.3 m95 . . . . . 0 CA--C 1.542 0.665 0 CA-C-N 118.683 0.674 . . . . 0.0 112.475 170.514 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.335 0 N-CA-C 115.272 0.869 . . . . 0.0 115.272 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.87 -41.61 71.05 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.975 1.31 . . . . 0.0 113.121 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -57.63 -24.95 59.25 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 125.384 1.474 . . . . 0.0 113.719 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.62 -23.12 64.4 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.79 -38.68 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.455 1.102 . . . . 0.0 109.262 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.76 -36.21 82.34 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.749 1.62 . . . . 0.0 111.089 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.7 -36.19 69.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.397 1.079 . . . . 0.0 112.934 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.61 -24.27 66.57 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.129 -0.982 . . . . 0.0 112.677 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 18.6 mm -83.63 -39.43 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.78 1.232 . . . . 0.0 111.595 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -66.8 -39.01 87.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.637 0.732 . . . . 0.0 111.979 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.72 0.36 27.04 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.389 1.076 . . . . 0.0 113.523 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.97 -22.32 64.11 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.781 0.832 . . . . 0.0 112.088 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 94.77 148.49 24.21 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.943 1.735 . . . . 0.0 114.342 171.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -163.55 174.42 11.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.549 1.94 . . . . 0.0 110.527 174.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -133.62 -15.0 2.45 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.321 1.849 . . . . 0.0 113.344 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.48 -35.79 73.47 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.516 1.053 . . . . 0.0 113.591 -172.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 56.3 ttm -46.42 -46.71 18.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.704 1.202 . . . . 0.0 112.173 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.52 -22.41 66.71 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.067 0.947 . . . . 0.0 113.118 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.517 1.127 . . . . 0.0 111.139 171.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 77.2 m -65.23 -43.24 92.05 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.81 1.644 . . . . 0.0 112.726 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 27.6 mm -64.91 -41.07 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.741 0.701 . . . . 0.0 110.87 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.08 -50.14 74.9 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.862 0.465 . . . . 0.0 111.219 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -55.51 -55.75 28.26 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.273 -0.892 . . . . 0.0 112.118 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.22 -28.01 66.27 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.598 1.09 . . . . 0.0 113.719 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 72.8 t90 . . . . . 0 CA--C 1.543 0.686 0 O-C-N 121.432 -0.792 . . . . 0.0 112.646 172.47 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -38.91 -50.2 4.04 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.548 2.339 . . . . 0.0 117.029 -169.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.66 -33.85 43.47 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 121.911 1.718 . . . . 0.0 113.095 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.73 -37.07 27.87 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.173 0.897 . . . . 0.0 112.687 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -60.73 -34.79 74.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.531 1.932 . . . . 0.0 112.405 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -72.51 -27.33 62.19 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.61 -48.04 13.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.554 1.07 . . . . 0.0 112.349 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -63.95 -34.83 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 121.383 -0.823 . . . . 0.0 110.883 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -24.23 66.93 Favored Glycine 0 C--N 1.345 1.049 0 C-N-CA 124.763 1.173 . . . . 0.0 113.178 171.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -51.65 20.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.989 1.395 . . . . 0.0 110.161 174.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.7 -40.63 79.96 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.13 -51.99 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.526 0.73 . . . . 0.0 110.481 172.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.87 -27.22 73.26 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.329 0.966 . . . . 0.0 114.154 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.9 mt -71.8 -57.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.445 1.098 . . . . 0.0 110.386 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -59.6 -46.01 90.2 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.406 1.003 . . . . 0.0 111.685 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -73.86 -11.68 60.44 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.29 -47.0 71.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 110.643 169.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.96 -36.71 27.67 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.106 1.362 . . . . 0.0 113.879 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -71.02 -22.56 62.13 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.807 -1.183 . . . . 0.0 112.575 174.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.36 76.72 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.255 0.931 . . . . 0.0 113.165 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt . . . . . 0 CA--C 1.545 0.782 0 CA-C-N 118.586 1.193 . . . . 0.0 111.267 173.208 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 tttm . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -90.87 6.39 44.65 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 120.416 -1.427 . . . . 0.0 114.557 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.9 165.34 26.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.483 1.913 . . . . 0.0 112.516 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.8 mt -130.46 138.0 50.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.829 1.651 . . . . 0.0 108.589 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 m -77.61 149.96 34.71 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.956 -1.09 . . . . 0.0 109.041 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -57.88 -37.57 74.2 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.408 -1.432 . . . . 0.0 113.825 -170.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -68.34 -26.82 65.79 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -79.13 -35.27 42.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.36 1.064 . . . . 0.0 111.087 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.1 -44.07 97.91 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.078 0.951 . . . . 0.0 110.011 169.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.48 -41.83 77.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.685 -1.26 . . . . 0.0 111.929 171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -50.23 74.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.636 0.774 . . . . 0.0 111.418 172.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.87 -52.28 50.72 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.263 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.65 -48.65 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.503 1.047 . . . . 0.0 111.911 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.55 -27.16 66.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.863 0.465 . . . . 0.0 112.201 -176.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -52.89 5.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.995 0.816 . . . . 0.0 112.894 174.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.3 -42.34 54.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.508 -169.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -84.16 -76.28 0.31 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.127 -0.939 . . . . 0.0 109.246 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.485 1.283 0 C-N-CA 131.373 3.869 . . . . 0.0 108.898 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.47 -16.97 64.51 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 120.799 -1.188 . . . . 0.0 111.973 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 -27.44 68.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.229 1.412 . . . . 0.0 113.028 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.49 -40.54 25.94 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.162 0.585 . . . . 0.0 109.803 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.33 -28.36 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.388 -0.82 . . . . 0.0 112.607 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.16 -36.27 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-N 120.985 1.721 . . . . 0.0 112.209 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.57 -43.94 75.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.915 0.78 . . . . 0.0 111.551 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.07 -40.56 96.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.862 0.865 . . . . 0.0 112.37 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 ttp -58.54 -41.84 86.45 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.031 0.932 . . . . 0.0 111.05 172.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.3 -29.2 63.63 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.486 0.714 . . . . 0.0 112.846 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -73.02 -24.76 60.77 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.98 1.312 . . . . 0.0 112.653 171.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -80.47 -44.6 18.93 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.588 . . . . 0.0 111.418 170.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -61.21 -14.79 28.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.42 1.888 . . . . 0.0 113.772 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -49.63 -21.96 1.18 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.049 2.139 . . . . 0.0 112.745 169.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.85 -43.49 38.8 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.208 1.803 . . . . 0.0 113.91 169.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -156.66 -108.33 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.024 1.33 . . . . 0.0 112.345 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -134.87 -43.06 0.74 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.179 1.354 . . . . 0.0 114.651 -169.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -138.04 0.49 2.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.281 1.832 . . . . 0.0 112.128 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.21 150.8 43.16 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.045 1.738 . . . . 0.0 113.822 -169.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 t -107.51 139.97 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 128.763 2.825 . . . . 0.0 107.552 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -107.88 154.09 22.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.875 0.87 . . . . 0.0 111.519 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.88 -49.17 66.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -63.05 -39.85 95.97 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.896 0.771 . . . . 0.0 111.43 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -74.65 -31.58 61.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.873 1.269 . . . . 0.0 111.29 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.16 -44.97 95.44 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.97 0.908 . . . . 0.0 111.045 169.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.56 -38.11 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.534 -0.729 . . . . 0.0 111.3 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -57.91 -43.93 86.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.147 0.979 . . . . 0.0 110.891 172.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.63 -37.16 85.78 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 174.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.95 -26.73 68.96 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.852 1.205 . . . . 0.0 111.699 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.3 -35.82 77.52 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.036 0.827 . . . . 0.0 112.983 169.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -42.27 78.28 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.419 1.109 . . . . 0.0 111.526 170.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.43 -44.03 96.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 110.494 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -33.16 74.68 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.13 1.372 . . . . 0.0 113.507 172.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -68.84 -38.92 80.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.961 0.904 . . . . 0.0 111.625 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.94 -35.22 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.095 0.958 . . . . 0.0 112.059 170.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.93 42.42 0.07 Allowed 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 125.566 1.546 . . . . 0.0 112.382 169.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -52.18 -26.29 11.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.192 2.997 . . . . 0.0 116.649 -169.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.861 1.209 . . . . 0.0 111.776 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.28 -14.91 62.37 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.1 mt -102.8 6.05 39.07 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.824 2.05 . . . . 0.0 112.505 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.42 -38.74 5.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.448 1.499 . . . . 0.0 111.778 171.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 C-N-CA 125.701 1.619 . . . . 0.0 114.041 175.612 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 75.78 -51.37 0.63 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 129.612 3.165 . . . . 0.0 112.644 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -47.09 -45.81 53.5 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.563 1.545 . . . . 0.0 114.875 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.28 -43.92 21.24 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.956 2.437 . . . . 0.0 113.553 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 tp -78.3 -39.51 39.57 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.021 0.828 . . . . 0.0 111.277 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.44 -37.43 85.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.863 1.265 . . . . 0.0 112.535 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -74.06 -29.52 61.94 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.446 0.566 . . . . 0.0 112.339 172.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.81 41.45 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.566 1.075 . . . . 0.0 112.107 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -64.34 -34.27 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.143 -0.973 . . . . 0.0 110.514 172.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.84 -28.44 72.67 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.78 1.181 . . . . 0.0 113.801 171.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -51.87 53.99 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.177 1.489 . . . . 0.0 110.13 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.23 -41.26 83.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.148 0.979 . . . . 0.0 111.509 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.42 -42.66 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 118.534 0.606 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.16 -36.09 64.02 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.186 0.898 . . . . 0.0 113.293 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.88 -42.4 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.358 1.063 . . . . 0.0 110.906 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -76.4 -51.64 11.45 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -175.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -70.01 -25.07 63.42 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -169.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -54.15 -44.32 71.34 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.2 1.0 . . . . 0.0 112.681 171.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -81.5 -27.2 34.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.692 1.197 . . . . 0.0 113.667 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -64.64 -50.24 67.89 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.288 -0.882 . . . . 0.0 112.009 171.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.27 -9.36 87.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.684 1.135 . . . . 0.0 114.005 -175.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -57.94 -38.75 76.52 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.817 1.309 . . . . 0.0 113.048 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -108.64 3.84 23.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.082 1.353 . . . . 0.0 113.09 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.51 11.62 79.75 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.59 1.091 . . . . 0.0 115.135 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.22 172.25 13.85 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.073 1.349 . . . . 0.0 112.347 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 176.91 0.87 Allowed 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.998 -1.064 . . . . 0.0 112.377 170.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -67.82 73.06 0.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.638 1.975 . . . . 0.0 112.813 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -161.05 148.12 15.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.534 2.734 . . . . 0.0 108.671 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -121.43 133.05 55.06 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.581 1.153 . . . . 0.0 111.384 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.5 p -80.89 166.22 21.09 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.13 -0.981 . . . . 0.0 110.164 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -56.07 -42.87 77.36 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.323 -1.486 . . . . 0.0 113.009 -171.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -35.57 79.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.194 0.998 . . . . 0.0 113.441 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -75.18 -36.44 61.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.461 0.705 . . . . 0.0 110.874 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.11 -47.79 84.63 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.627 1.171 . . . . 0.0 109.949 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -56.6 -40.04 74.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.592 1.087 . . . . 0.0 112.048 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.49 -42.44 98.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.04 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.11 -59.28 5.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.921 0.782 . . . . 0.0 110.868 169.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.9 pt -68.65 -27.85 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -171.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -79.4 -39.36 32.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.632 1.105 . . . . 0.0 112.355 172.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -31.15 21.2 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.759 1.618 . . . . 0.0 112.874 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -85.7 -44.34 12.64 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.7 -1.25 . . . . 0.0 112.848 177.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.51 -6.85 24.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -173.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p . . . . . 0 N--CA 1.478 0.96 0 C-N-CA 128.443 2.697 . . . . 0.0 114.744 169.848 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.96 -23.03 67.21 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.062 -1.649 . . . . 0.0 112.604 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.13 72.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.68 1.192 . . . . 0.0 112.707 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -81.56 -31.84 32.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.756 0.822 . . . . 0.0 110.689 169.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.2 mm -61.34 -45.32 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.558 1.072 . . . . 0.0 111.82 172.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.98 -26.88 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.535 1.061 . . . . 0.0 112.973 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.07 -30.91 44.24 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.0 0.818 . . . . 0.0 112.703 169.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -41.67 96.07 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.947 1.248 . . . . 0.0 110.451 169.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.8 mtp -59.86 -39.42 85.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.933 0.893 . . . . 0.0 111.403 174.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.58 -29.33 62.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.021 1.328 . . . . 0.0 112.572 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.77 -25.4 49.07 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.333 1.053 . . . . 0.0 112.841 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.46 -51.18 25.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.25 1.42 . . . . 0.0 109.304 169.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.98 -18.52 60.7 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.833 1.653 . . . . 0.0 114.337 176.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -52.68 -23.18 6.15 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.337 1.455 . . . . 0.0 112.894 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -59.4 -24.47 63.48 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -152.08 -101.53 0.05 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.423 1.489 . . . . 0.0 111.794 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.79 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -136.54 -5.4 2.01 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.182 0.993 . . . . 0.0 113.622 -176.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -161.41 162.32 30.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.185 1.394 . . . . 0.0 112.395 -169.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.1 t -117.75 112.09 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 126.612 1.965 . . . . 0.0 107.816 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -81.13 155.62 26.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 122.521 0.328 . . . . 0.0 110.415 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -50.56 -47.15 57.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -57.2 -43.09 82.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.968 0.804 . . . . 0.0 111.758 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -74.26 -29.72 61.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.755 0.822 . . . . 0.0 112.037 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.26 -42.17 96.59 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.635 -0.666 . . . . 0.0 111.905 170.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.82 -43.58 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.286 -0.884 . . . . 0.0 111.083 174.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.6 m -60.47 -38.53 84.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.972 0.909 . . . . 0.0 111.915 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.24 -39.34 92.57 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.791 . . . . 0.0 112.488 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.63 1.105 . . . . 0.0 111.891 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.74 94.2 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.92 0.771 . . . . 0.0 111.958 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.38 86.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.386 1.093 . . . . 0.0 112.04 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 20.3 tp -56.78 -42.75 79.98 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.418 1.487 . . . . 0.0 111.578 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.24 -36.53 75.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.57 0.748 . . . . 0.0 112.679 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.5 mtm -71.14 -27.42 63.55 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.458 1.026 . . . . 0.0 113.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.24 -43.17 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.364 0.984 . . . . 0.0 109.267 169.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -74.09 39.97 0.12 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.288 2.235 . . . . 0.0 113.29 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -52.84 -23.99 8.11 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.866 2.466 . . . . 0.0 116.194 -169.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.52 -31.14 72.05 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.169 1.349 . . . . 0.0 112.253 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.68 68.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.525 0.73 . . . . 0.0 112.754 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.93 -43.26 25.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.239 1.416 . . . . 0.0 110.097 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 124.369 1.068 . . . . 0.0 112.366 175.855 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.141 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.9 -33.82 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.813 1.245 . . . . 0.0 113.015 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -58.84 -30.67 67.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.979 1.312 . . . . 0.0 113.0 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -72.33 -13.17 61.42 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.694 1.134 . . . . 0.0 113.075 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 -47.36 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.747 1.219 . . . . 0.0 109.358 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.5 mt -68.22 -28.56 67.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.261 1.424 . . . . 0.0 113.978 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.0 -29.98 70.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.549 1.068 . . . . 0.0 111.911 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.31 -31.45 69.94 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.144 -0.973 . . . . 0.0 111.75 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.2 mp -77.2 -39.28 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.28 1.432 . . . . 0.0 111.145 172.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -54.84 -43.82 73.38 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.306 -0.871 . . . . 0.0 111.992 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.5 -0.35 37.07 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.11 -33.35 59.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.124 0.97 . . . . 0.0 112.533 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 166.5 155.35 8.85 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.819 1.2 . . . . 0.0 115.124 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -172.5 157.91 4.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.909 2.484 . . . . 0.0 110.757 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -159.45 -61.45 0.07 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.546 0.738 . . . . 0.0 112.36 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.95 -23.23 65.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.638 0.775 . . . . 0.0 112.831 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 55.1 ttm -41.16 -46.01 2.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.534 1.934 . . . . 0.0 113.611 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.2 -30.77 25.5 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.222 1.009 . . . . 0.0 112.933 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -83.4 -49.44 9.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 -173.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 99.1 m -61.03 -45.28 95.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.857 1.263 . . . . 0.0 112.831 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 39.1 pt -59.52 -30.59 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.156 0.983 . . . . 0.0 113.493 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -77.58 -45.64 24.62 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.634 0.774 . . . . 0.0 110.751 173.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -58.37 -48.06 81.82 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.169 -0.957 . . . . 0.0 112.12 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.59 70.99 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.811 0.845 . . . . 0.0 113.217 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 84.1 t90 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 123.408 0.683 . . . . 0.0 111.838 170.557 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -55.82 -33.96 64.92 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.475 1.637 . . . . 0.0 113.746 -171.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.3 ptp -50.22 -30.97 12.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.008 1.323 . . . . 0.0 114.432 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -72.07 -20.91 61.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.06 -39.61 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.254 1.422 . . . . 0.0 108.844 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.93 -38.99 83.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.109 1.364 . . . . 0.0 110.703 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -58.26 -29.88 66.14 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.209 -0.932 . . . . 0.0 112.709 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -63.82 -18.57 64.25 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.993 -1.692 . . . . 0.0 113.404 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 16.8 mt -81.83 -34.35 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.701 1.2 . . . . 0.0 111.75 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -38.12 84.93 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.816 -1.178 . . . . 0.0 110.274 172.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.72 -0.5 15.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.915 1.686 . . . . 0.0 113.576 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -109.08 -43.41 4.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.552 1.541 . . . . 0.0 112.925 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -147.22 137.7 6.8 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.35 0.976 . . . . 0.0 114.341 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -173.9 120.2 0.29 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.526 2.33 . . . . 0.0 110.021 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -167.9 -58.58 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.646 1.178 . . . . 0.0 111.628 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -72.18 -26.9 62.25 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.9 ttm -53.26 -54.2 39.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.414 0.552 . . . . 0.0 109.663 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -64.49 -29.54 70.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.204 1.001 . . . . 0.0 112.458 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.969 0.908 . . . . 0.0 112.102 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 37.7 m -78.19 -42.35 31.76 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.612 1.565 . . . . 0.0 111.943 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.29 -46.93 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 118.969 0.804 . . . . 0.0 110.513 172.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -54.71 -59.51 4.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 111.755 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.2 -37.74 86.47 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.882 -1.136 . . . . 0.0 113.278 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.73 78.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 18.5 m95 . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 123.559 0.743 . . . . 0.0 112.523 172.335 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 tpt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.32 14.33 2.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.58 1.952 . . . . 0.0 116.25 -168.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -41.99 -48.45 11.01 Favored Pre-proline 0 N--CA 1.471 0.609 0 N-CA-C 116.725 2.12 . . . . 0.0 116.725 -170.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -63.58 -44.47 13.98 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.203 1.935 . . . . 0.0 112.547 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.6 tp -78.95 -39.24 34.99 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.187 0.449 . . . . 0.0 111.436 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -62.0 -37.78 86.14 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.924 0.49 . . . . 0.0 110.851 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -74.79 -27.82 60.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.33 -45.53 62.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.551 1.069 . . . . 0.0 112.132 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.0 pt -66.13 -28.25 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 CA-C-N 119.331 0.969 . . . . 0.0 111.3 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.21 -30.2 76.34 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.168 1.366 . . . . 0.0 113.359 170.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -50.51 69.63 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.01 1.405 . . . . 0.0 110.03 172.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.02 -39.88 83.29 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.994 0.917 . . . . 0.0 111.74 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.09 -49.27 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 119.693 1.133 . . . . 0.0 111.317 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -26.83 73.65 Favored Glycine 0 C--N 1.341 0.82 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.86 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.69 -57.21 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.343 1.071 . . . . 0.0 109.587 168.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.55 -48.23 82.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.341 1.056 . . . . 0.0 113.158 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -72.76 -14.34 61.52 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -169.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -57.15 -43.92 82.93 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 121.066 -1.021 . . . . 0.0 111.475 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 93.5 m-85 -80.65 -34.15 35.1 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.703 1.201 . . . . 0.0 112.937 -170.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 p -72.08 -38.85 69.31 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.963 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.82 -12.29 20.57 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 126.317 1.913 . . . . 0.0 114.665 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.81 -22.32 65.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.432 1.093 . . . . 0.0 112.962 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -128.12 -23.76 3.25 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.39 -172.58 45.6 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 120.077 1.308 . . . . 0.0 115.641 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.72 -4.4 37.22 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -59.38 152.99 20.01 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -169.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.444 ' CD2' HD22 ' A' ' 69' ' ' ASN . 0.4 OUTLIER -96.27 22.16 8.09 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.036 2.135 . . . . 0.0 113.671 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -127.61 158.16 38.26 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.083 2.153 . . . . 0.0 111.046 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.31 130.17 51.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.722 1.209 . . . . 0.0 110.204 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -76.53 155.23 33.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.245 0.618 . . . . 0.0 109.756 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -52.78 -37.9 60.31 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -169.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -77.98 -28.09 49.28 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.37 -34.93 61.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.674 1.189 . . . . 0.0 111.247 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.3 -46.46 90.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.705 1.602 . . . . 0.0 109.243 169.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.56 -37.03 84.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.032 -1.043 . . . . 0.0 112.609 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -49.51 76.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.488 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 8.6 tt -51.84 -51.04 59.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.916 1.234 . . . . 0.0 110.77 171.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.03 -50.24 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.297 0.953 . . . . 0.0 111.962 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -67.85 -33.11 74.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.485 1.039 . . . . 0.0 113.314 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -84.99 -27.23 26.59 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -83.9 -51.99 6.72 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.049 0.84 . . . . 0.0 111.524 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -101.26 79.83 2.03 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.243 1.817 . . . . 0.0 108.161 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -70.86 68.07 0.41 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.668 1.987 . . . . 0.0 113.882 -170.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -76.1 35.58 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.48 1.912 . . . . 0.0 113.481 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.61 124.8 34.73 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.873 1.225 . . . . 0.0 112.263 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m 74.13 -2.79 2.7 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.04 2.136 . . . . 0.0 114.473 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -79.73 159.86 26.45 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.809 -1.182 . . . . 0.0 111.94 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mp -75.61 -9.53 58.66 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.237 1.415 . . . . 0.0 113.815 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -68.87 -5.19 19.62 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.22 -28.89 68.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 121.45 1.932 . . . . 0.0 112.845 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.89 -27.19 68.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.464 1.106 . . . . 0.0 112.937 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.02 -34.76 32.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.622 0.769 . . . . 0.0 109.961 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.3 mm -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.215 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.12 -26.82 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 120.598 1.545 . . . . 0.0 112.657 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -77.92 -38.15 46.22 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.79 0.723 . . . . 0.0 112.402 169.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.6 -40.0 90.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.251 1.02 . . . . 0.0 110.903 173.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.5 ttp -59.76 -43.55 94.25 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.116 1.766 . . . . 0.0 111.339 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.68 -33.17 75.32 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.77 1.168 . . . . 0.0 113.184 172.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -68.72 -36.64 78.68 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.16 0.891 . . . . 0.0 112.458 172.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.98 -46.29 57.83 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.266 1.426 . . . . 0.0 111.743 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.64 -16.83 63.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.318 1.847 . . . . 0.0 113.251 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -62.61 -20.46 64.78 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.404 -0.81 . . . . 0.0 112.642 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -71.54 -42.91 67.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.113 0.965 . . . . 0.0 112.234 170.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -170.82 126.49 0.72 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 128.083 2.553 . . . . 0.0 110.703 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.84 -34.17 62.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -69.77 -51.0 37.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.108 0.963 . . . . 0.0 111.021 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -160.75 134.67 6.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.304 1.442 . . . . 0.0 110.91 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.4 t -90.46 124.2 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.803 1.641 . . . . 0.0 108.684 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.444 HD22 ' CD2' ' A' ' 27' ' ' HIS . 26.0 t-20 -79.03 151.18 31.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.22 0.608 . . . . 0.0 112.469 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -47.02 -43.46 19.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.894 1.678 . . . . 0.0 115.059 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -66.61 -40.36 88.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.912 0.778 . . . . 0.0 111.271 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -73.12 -32.33 64.86 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.295 1.038 . . . . 0.0 111.882 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.97 -39.1 88.3 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.27 -0.894 . . . . 0.0 110.661 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.71 -38.95 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.169 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -55.2 -40.01 70.28 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.371 1.441 . . . . 0.0 111.605 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -69.35 -42.04 75.81 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.356 0.663 . . . . 0.0 112.512 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.91 -28.15 69.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.05 0.841 . . . . 0.0 112.177 171.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.3 -41.33 96.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.104 0.859 . . . . 0.0 112.483 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.94 88.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.632 1.216 . . . . 0.0 111.615 170.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.56 -41.26 80.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.602 1.161 . . . . 0.0 112.127 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.76 -32.34 69.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.848 1.259 . . . . 0.0 112.678 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 ttt -74.31 -38.88 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.027 0.931 . . . . 0.0 112.269 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 52.5 mt -75.6 -12.86 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.296 1.839 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.56 -16.66 10.71 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.5 1.52 . . . . 0.0 114.3 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 72.03 -60.01 0.54 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 128.392 2.677 . . . . 0.0 114.088 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.32 -29.91 57.49 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.104 1.362 . . . . 0.0 112.189 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.22 90.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.043 0.937 . . . . 0.0 112.583 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.98 15.53 4.91 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.4 1.48 . . . . 0.0 113.157 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -121.41 -36.58 3.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.425 1.49 . . . . 0.0 113.13 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 C-N-CA 126.003 1.763 . . . . 0.0 113.938 173.793 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.35 -62.41 1.44 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.876 1.67 . . . . 0.0 114.552 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -43.12 90.98 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.85 -39.74 89.33 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.409 2.739 . . . . 0.0 114.387 169.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -74.32 -43.85 55.01 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.695 1.134 . . . . 0.0 111.651 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.53 -36.34 78.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.847 1.659 . . . . 0.0 112.311 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -74.65 -32.34 62.23 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 171.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -42.9 71.17 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.492 1.042 . . . . 0.0 112.063 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -66.03 -25.75 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 118.963 0.801 . . . . 0.0 111.371 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.91 -25.54 74.6 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.312 1.434 . . . . 0.0 113.888 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -47.52 73.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.256 1.528 . . . . 0.0 110.273 172.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.51 0.724 . . . . 0.0 111.569 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -74.18 -36.04 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.098 0.863 . . . . 0.0 112.07 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.08 -28.51 72.95 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.543 1.068 . . . . 0.0 112.715 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 mt -80.21 -56.58 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 110.638 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -62.72 -50.27 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -70.25 -19.99 63.1 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -168.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -63.67 -35.09 79.41 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.134 -0.978 . . . . 0.0 112.314 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -84.45 -47.02 11.07 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.729 1.212 . . . . 0.0 113.096 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -63.47 -41.56 98.59 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.392 0.996 . . . . 0.0 111.855 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.34 15.03 52.48 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.63 1.586 . . . . 0.0 114.832 178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.15 -28.07 66.98 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.385 1.592 . . . . 0.0 113.593 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -132.07 21.93 4.5 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.734 1.213 . . . . 0.0 113.495 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.17 -163.08 34.57 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.743 1.163 . . . . 0.0 113.872 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.59 3.46 44.29 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.658 1.583 . . . . 0.0 113.227 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -58.46 147.3 32.17 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.919 2.488 . . . . 0.0 114.818 -169.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -118.17 19.45 13.53 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.61 1.964 . . . . 0.0 114.12 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -124.3 156.35 37.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.378 2.271 . . . . 0.0 110.418 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.52 120.81 43.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.958 1.303 . . . . 0.0 110.752 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.8 t -78.62 173.17 12.7 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.148 0.975 . . . . 0.0 109.994 168.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.13 -38.66 71.11 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.687 -1.258 . . . . 0.0 113.453 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -70.67 -39.52 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -51.38 70.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.619 0.768 . . . . 0.0 110.807 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.14 -41.65 90.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 117.988 0.358 . . . . 0.0 110.557 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.36 -43.55 97.34 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.356 -0.84 . . . . 0.0 112.451 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -65.14 -38.22 89.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.431 0.692 . . . . 0.0 111.582 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.12 -52.68 64.54 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.598 1.159 . . . . 0.0 110.461 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.31 -52.36 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.697 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -64.26 -27.32 68.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.989 0.813 . . . . 0.0 113.129 -176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -86.85 -50.4 6.74 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.915 1.234 . . . . 0.0 113.836 174.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -85.56 -35.52 21.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -169.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mp -108.21 -17.61 13.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.757 1.223 . . . . 0.0 113.104 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.312 26.4 p 54.43 -121.32 1.79 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.386 2.274 . . . . 0.0 109.115 -169.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.7 tt -165.66 170.17 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.337 1.455 . . . . 0.0 111.457 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.03 -47.69 6.94 Favored Glycine 0 N--CA 1.472 1.087 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 41.4 t -147.78 139.28 23.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.394 1.478 . . . . 0.0 110.266 169.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -60.22 -18.32 47.68 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.018 -1.051 . . . . 0.0 113.438 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.12 -23.43 67.43 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.99 1.316 . . . . 0.0 113.086 170.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -80.06 -4.8 54.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.524 1.13 . . . . 0.0 113.064 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.15 -28.39 67.87 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.262 -1.524 . . . . 0.0 113.63 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.68 73.0 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.454 1.102 . . . . 0.0 112.787 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -80.69 -28.59 36.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.976 0.91 . . . . 0.0 111.232 170.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -64.28 -43.11 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 120.023 1.283 . . . . 0.0 111.56 171.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.81 -24.05 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.883 1.219 . . . . 0.0 113.259 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.43 -38.7 59.62 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.996 -1.065 . . . . 0.0 111.849 169.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -39.27 88.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.392 1.077 . . . . 0.0 111.36 169.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -62.54 -43.19 99.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.941 1.296 . . . . 0.0 111.864 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.33 -35.4 80.28 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.101 1.361 . . . . 0.0 112.309 174.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -72.91 -24.9 60.89 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.828 1.251 . . . . 0.0 113.394 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.35 -48.15 36.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.036 1.334 . . . . 0.0 110.651 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.35 -13.85 62.39 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -49.93 -28.92 7.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 113.057 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -67.87 -29.46 68.59 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -140.2 -19.02 0.89 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -169.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.26 35.26 6.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.825 2.05 . . . . 0.0 113.654 170.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -166.02 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.576 1.55 . . . . 0.0 110.131 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -156.99 142.9 17.81 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.83 1.652 . . . . 0.0 110.531 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 p -92.69 135.0 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.549 1.14 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -91.33 160.86 15.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.28 1.032 . . . . 0.0 112.635 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.84 -48.57 69.83 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -169.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -67.28 -35.8 80.24 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.225 0.92 . . . . 0.0 111.537 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -70.14 -38.25 75.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.251 1.42 . . . . 0.0 111.04 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.62 -43.65 93.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.003 0.921 . . . . 0.0 111.467 169.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.9 mt -69.64 -37.56 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.387 -0.82 . . . . 0.0 112.061 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -59.89 -42.13 93.1 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.18 0.992 . . . . 0.0 111.177 173.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.45 -38.53 87.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.543 0.737 . . . . 0.0 112.301 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.02 -26.31 68.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.527 1.058 . . . . 0.0 111.943 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -36.82 87.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.336 0.97 . . . . 0.0 112.973 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.26 73.59 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.341 1.071 . . . . 0.0 112.155 170.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.11 -41.43 99.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.896 0.878 . . . . 0.0 111.398 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.808 1.243 . . . . 0.0 112.571 171.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.46 -28.49 68.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.18 0.992 . . . . 0.0 113.195 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.0 -31.89 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.894 -1.129 . . . . 0.0 112.233 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -78.23 50.22 0.89 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.49 1.116 . . . . 0.0 111.271 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.58 -28.67 56.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.158 1.783 . . . . 0.0 115.805 -169.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.99 -40.16 92.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.2 0.909 . . . . 0.0 112.219 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.66 65.78 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.15 0.98 . . . . 0.0 113.15 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.1 mt -103.29 18.12 22.5 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.233 2.213 . . . . 0.0 112.326 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -127.13 -36.4 2.16 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.573 1.549 . . . . 0.0 111.952 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.295 0 C-N-CA 125.591 1.567 . . . . 0.0 113.754 172.083 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.392 0.139 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -66.44 -23.71 66.33 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.477 1.511 . . . . 0.0 113.229 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 79.16 -48.64 3.39 Favored Glycine 0 N--CA 1.475 1.24 0 C-N-CA 125.599 1.571 . . . . 0.0 113.906 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.95 -65.39 0.57 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.535 1.934 . . . . 0.0 111.092 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -56.13 -29.41 60.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.118 0.967 . . . . 0.0 112.873 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.72 -16.15 63.28 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.77 -40.95 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 120.048 1.295 . . . . 0.0 108.78 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.6 -35.44 80.99 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.242 1.817 . . . . 0.0 111.69 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.66 -22.95 58.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.625 1.17 . . . . 0.0 113.31 174.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -69.83 -24.09 63.4 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.577 -1.327 . . . . 0.0 113.066 174.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.3 mp -80.08 -27.56 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.988 1.315 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -54.12 -37.82 64.75 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.906 -1.121 . . . . 0.0 112.562 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.49 0.56 10.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.58 1.952 . . . . 0.0 114.312 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.86 -30.55 67.81 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.092 1.357 . . . . 0.0 113.253 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 89.28 26.5 25.61 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 115.789 1.075 . . . . 0.0 115.789 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -62.91 154.86 28.91 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 118.819 1.309 . . . . 0.0 113.989 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.88 -16.54 7.58 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 128.056 2.543 . . . . 0.0 113.426 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -87.99 -32.98 18.56 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.158 1.345 . . . . 0.0 114.586 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -59.24 -46.76 87.63 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.198 0.999 . . . . 0.0 111.682 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -18.58 65.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 174.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -82.59 -39.15 22.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.566 1.076 . . . . 0.0 111.525 169.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 67.9 m -72.84 -36.56 67.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.847 1.259 . . . . 0.0 111.969 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.2 -47.4 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 118.378 0.535 . . . . 0.0 110.169 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -59.36 -45.72 90.62 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.848 0.459 . . . . 0.0 111.53 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.68 -46.94 80.86 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.046 -1.034 . . . . 0.0 112.23 173.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.79 66.4 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -82.05 -44.52 16.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.479 0.711 . . . . 0.0 111.338 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 14.9 t -67.69 -26.35 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 125.682 1.593 . . . . 0.0 113.523 -170.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.96 -21.41 58.44 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 171.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.5 m -111.49 17.05 20.43 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.953 1.301 . . . . 0.0 113.245 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.093 1.357 . . . . 0.0 114.449 178.807 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.48 151.22 46.31 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.638 0.775 . . . . 0.0 111.512 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.23 47.98 3.28 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 125.106 1.336 . . . . 0.0 113.672 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 27.1 tp -48.82 -67.48 0.26 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -26.31 32.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.686 1.194 . . . . 0.0 114.193 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -76.3 -19.02 58.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.156 0.889 . . . . 0.0 113.166 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.96 -36.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.666 1.187 . . . . 0.0 109.026 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.77 -30.06 68.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.229 1.412 . . . . 0.0 111.937 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.71 -35.63 66.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.38 1.072 . . . . 0.0 112.049 169.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -65.26 -17.19 64.3 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.711 -1.243 . . . . 0.0 112.821 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.17 -39.76 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.36 1.464 . . . . 0.0 111.796 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -51.63 -47.54 63.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 0.0 110.83 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.69 -0.13 32.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -107.52 -22.9 12.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.36 1.464 . . . . 0.0 113.552 171.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -61.9 153.4 41.49 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.846 1.212 . . . . 0.0 113.582 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -80.89 0.08 36.81 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 78.41 7.5 2.36 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.683 2.793 . . . . 0.0 114.071 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.03 -22.28 66.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.732 -1.23 . . . . 0.0 113.026 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 9.4 tpp -44.91 -64.96 0.59 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.176 1.79 . . . . 0.0 109.512 169.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -66.48 -27.25 67.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -68.59 -48.27 64.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.068 0.849 . . . . 0.0 110.574 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.8 m -66.28 -39.23 89.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.283 1.433 . . . . 0.0 111.514 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.03 -53.13 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.395 0.678 . . . . 0.0 110.612 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -64.56 -33.79 76.73 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.97 -55.49 32.31 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.766 1.166 . . . . 0.0 111.357 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.5 -29.32 64.21 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.842 1.257 . . . . 0.0 113.632 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -76.33 -17.88 59.2 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.724 1.61 . . . . 0.0 113.56 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 55.8 t -105.91 -37.92 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.803 1.241 . . . . 0.0 113.143 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.87 -14.54 60.27 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 -169.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 24.6 p -80.43 0.58 32.79 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 76.3 mtm-85 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.041 1.737 . . . . 0.0 111.96 177.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.08 14.73 3.05 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.499 1.92 . . . . 0.0 112.073 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -39.45 -48.38 4.8 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.96 -33.74 25.28 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.822 1.682 . . . . 0.0 112.838 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.8 tp -80.63 -39.85 26.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.236 0.926 . . . . 0.0 111.742 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.51 -35.97 79.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.387 1.475 . . . . 0.0 112.475 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -73.02 -25.43 60.96 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 171.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.17 -45.47 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.944 1.247 . . . . 0.0 112.388 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.1 pt -64.64 -32.9 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.396 0.998 . . . . 0.0 111.204 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.4 71.53 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.476 1.036 . . . . 0.0 113.91 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -50.89 44.85 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.907 1.353 . . . . 0.0 110.203 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.13 -40.17 88.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.117 0.967 . . . . 0.0 111.731 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -69.13 -42.65 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.84 0.745 . . . . 0.0 110.7 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.64 89.92 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.294 0.949 . . . . 0.0 112.425 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mt -67.82 -54.02 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.286 1.035 . . . . 0.0 110.736 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.86 -50.68 61.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.607 1.094 . . . . 0.0 113.268 -173.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -70.47 -21.17 62.81 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.18 -42.8 91.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.943 -1.098 . . . . 0.0 112.369 169.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.51 -30.43 29.83 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.1 p -75.5 -42.76 52.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.956 1.253 . . . . 0.0 112.015 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.43 58.02 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.518 1.532 . . . . 0.0 113.993 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -62.32 -33.22 74.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.123 1.369 . . . . 0.0 112.124 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -106.19 -34.65 7.44 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.593 1.557 . . . . 0.0 113.082 -173.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.03 179.39 48.7 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-N 118.951 0.796 . . . . 0.0 114.631 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -76.36 -16.38 59.75 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.62 138.63 57.59 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.918 1.287 . . . . 0.0 112.286 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -80.25 48.51 1.02 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.558 1.543 . . . . 0.0 112.757 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 p -139.19 150.34 45.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.083 2.153 . . . . 0.0 109.665 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.22 143.71 42.84 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.943 1.297 . . . . 0.0 110.152 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -80.41 146.68 31.34 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 167.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -62.19 -22.86 66.25 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -75.54 -29.41 59.41 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -78.39 -30.51 47.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.582 1.153 . . . . 0.0 111.204 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.97 -47.22 85.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.807 0.843 . . . . 0.0 110.258 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -57.34 -39.15 75.33 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.435 -0.791 . . . . 0.0 111.746 173.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.65 -46.94 88.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.566 0.746 . . . . 0.0 111.287 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -54.84 -52.31 63.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.326 1.051 . . . . 0.0 111.083 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.78 -40.03 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.951 -0.468 . . . . 0.0 112.21 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -74.7 -27.57 60.45 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.264 -0.897 . . . . 0.0 112.352 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -85.52 -44.69 12.47 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.02 -53.82 4.85 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.095 0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.4 52.44 1.02 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.004 1.322 . . . . 0.0 111.763 -169.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -57.57 127.15 30.57 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.749 1.22 . . . . 0.0 110.89 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.61 125.66 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.013 1.725 . . . . 0.0 108.874 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.46 -26.89 16.53 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.359 0.98 . . . . 0.0 114.547 -173.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 p -75.11 -26.67 59.41 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -165.65 179.45 6.02 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -171.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.7 122.14 10.72 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.303 1.441 . . . . 0.0 109.484 169.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -88.43 -49.61 6.82 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -169.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.75 -38.79 61.48 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -168.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.4 68.27 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.48 -39.92 27.12 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.367 0.531 . . . . 0.0 110.791 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.21 -31.97 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.062 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.38 -36.25 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.248 1.385 . . . . 0.0 111.931 173.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -75.26 -39.24 60.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.568 0.622 . . . . 0.0 112.619 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.12 -36.35 82.91 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.152 0.887 . . . . 0.0 111.812 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -58.98 -39.58 82.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.66 1.184 . . . . 0.0 111.184 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.46 -36.75 85.18 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.252 0.933 . . . . 0.0 113.409 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -70.02 -24.58 63.31 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.318 1.417 . . . . 0.0 113.767 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.95 -44.84 17.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.634 1.574 . . . . 0.0 112.26 170.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -73.15 -25.38 60.79 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.142 1.777 . . . . 0.0 113.769 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -11.09 16.89 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -78.73 -19.49 52.24 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 119.901 1.228 . . . . 0.0 113.942 170.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -136.33 -129.41 0.14 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.578 1.951 . . . . 0.0 111.431 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -141.22 -42.84 0.38 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -138.76 -8.47 1.41 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.512 1.525 . . . . 0.0 113.213 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.56 157.76 45.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.247 1.819 . . . . 0.0 112.645 -169.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.07 111.53 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.053 1.741 . . . . 0.0 108.628 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -80.61 149.18 29.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.234 1.414 . . . . 0.0 112.031 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.7 -48.0 72.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.35 -38.72 90.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.26 0.936 . . . . 0.0 111.035 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.85 -34.78 74.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.832 1.253 . . . . 0.0 111.928 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -61.01 -39.78 91.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.99 0.916 . . . . 0.0 110.433 169.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.9 mt -71.65 -39.29 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.601 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -56.96 -42.27 79.82 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 120.271 1.396 . . . . 0.0 110.86 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -66.57 -38.36 86.9 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt -63.43 -17.1 62.33 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.485 1.039 . . . . 0.0 112.167 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.44 -37.29 69.54 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 119.627 1.103 . . . . 0.0 111.639 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.57 69.99 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 117.938 0.869 . . . . 0.0 111.572 169.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.75 -16.64 63.35 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.105 0.962 . . . . 0.0 112.974 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.72 -44.53 15.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.128 1.371 . . . . 0.0 110.38 168.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 60.6 ttp -66.14 -33.4 75.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.748 1.219 . . . . 0.0 113.437 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 tp -52.73 -31.6 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.76 -23.73 66.36 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 65.86 -60.9 0.28 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.998 2.919 . . . . 0.0 114.665 169.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -60.66 -35.3 75.89 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.316 1.846 . . . . 0.0 111.803 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -17.96 63.81 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -108.13 17.29 22.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.848 1.659 . . . . 0.0 113.043 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.2 -29.95 13.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.979 -1.076 . . . . 0.0 113.186 170.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.386 0 C-N-CA 125.712 1.625 . . . . 0.0 113.388 -178.526 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.42 50.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.6 p -52.43 -39.92 70.6 Favored Pre-proline 0 CA--C 1.548 0.895 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.05 -34.8 27.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.578 2.185 . . . . 0.0 113.523 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.37 -41.68 55.84 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.122 1.328 . . . . 0.0 111.001 174.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.25 -44.0 79.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.375 1.47 . . . . 0.0 112.258 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.16 -19.85 61.03 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.76 -48.99 12.7 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.46 1.027 . . . . 0.0 112.381 172.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -61.69 -37.18 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.553 1.07 . . . . 0.0 110.88 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.66 70.67 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.739 1.161 . . . . 0.0 113.757 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -53.34 44.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.76 1.28 . . . . 0.0 110.249 173.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.0 -40.62 85.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.347 1.059 . . . . 0.0 111.61 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.5 mt -66.21 -46.08 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.959 0.8 . . . . 0.0 111.032 176.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.05 -32.59 69.45 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.803 1.192 . . . . 0.0 113.214 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.57 -42.85 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.073 0.949 . . . . 0.0 110.715 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -72.15 -59.57 2.67 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -66.68 -26.1 66.87 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -54.1 -38.01 64.91 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.66 1.184 . . . . 0.0 113.704 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -80.5 -24.01 39.7 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -58.86 -20.97 55.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.708 1.203 . . . . 0.0 114.191 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.41 83.1 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.193 0.902 . . . . 0.0 114.594 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -68.12 -52.18 37.84 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.289 1.544 . . . . 0.0 110.904 170.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -88.37 -21.34 24.38 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.253 0.621 . . . . 0.0 112.615 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.96 27.58 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.182 1.372 . . . . 0.0 114.078 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -96.35 169.61 9.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.255 1.822 . . . . 0.0 113.235 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -94.31 -120.76 0.1 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.176 1.391 . . . . 0.0 110.592 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -81.94 46.31 0.99 Allowed 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.672 -1.892 . . . . 0.0 113.983 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t -154.71 144.44 21.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.997 1.719 . . . . 0.0 110.296 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -117.81 142.86 46.82 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.77 1.228 . . . . 0.0 111.83 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -78.13 171.11 15.53 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.288 -0.882 . . . . 0.0 112.702 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -63.56 -46.04 87.72 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.724 -1.235 . . . . 0.0 112.574 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -73.1 -30.76 63.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.761 0.824 . . . . 0.0 112.964 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.9 -34.88 71.99 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.733 1.213 . . . . 0.0 111.688 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.89 -44.78 79.96 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.635 1.174 . . . . 0.0 109.816 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.68 -37.59 82.11 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.867 -1.146 . . . . 0.0 112.194 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.27 -48.86 80.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.703 1.201 . . . . 0.0 111.758 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.62 -54.94 26.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.603 0.761 . . . . 0.0 110.944 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -60.75 -47.72 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.304 0.502 . . . . 0.0 111.732 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -70.3 -23.06 62.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.89 -47.72 8.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.348 1.431 . . . . 0.0 113.861 169.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -85.58 -27.96 25.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.059 0.845 . . . . 0.0 113.224 -170.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.57 46.17 1.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.239 1.816 . . . . 0.0 109.237 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.2 t -54.03 141.15 29.24 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.63 1.972 . . . . 0.0 113.819 -171.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 pt -151.24 160.8 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 128.713 2.805 . . . . 0.0 109.677 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.9 -171.79 42.97 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 124.369 0.985 . . . . 0.0 114.646 -171.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.6 p -71.77 -0.76 11.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.732 1.613 . . . . 0.0 114.312 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -50.26 145.1 6.45 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.308 1.843 . . . . 0.0 112.675 170.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 tp -79.61 79.42 6.1 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.554 1.142 . . . . 0.0 111.73 -174.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.73 7.15 2.29 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.842 1.257 . . . . 0.0 113.374 169.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.23 -23.33 67.38 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.215 -1.553 . . . . 0.0 111.699 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -30.66 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.536 1.534 . . . . 0.0 112.685 169.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.64 -38.89 38.51 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.714 0.806 . . . . 0.0 110.731 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.16 -42.62 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.121 0.569 . . . . 0.0 111.472 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.43 -29.86 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.165 0.893 . . . . 0.0 112.34 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -75.13 -35.39 61.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.118 0.872 . . . . 0.0 112.258 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.78 -37.18 84.08 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.583 -0.698 . . . . 0.0 111.504 171.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -61.49 -40.67 95.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.852 0.861 . . . . 0.0 111.403 170.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.76 -36.94 84.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.1 0.96 . . . . 0.0 113.083 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.05 -18.31 60.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.938 1.245 . . . . 0.0 113.436 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -81.08 -45.41 16.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.529 1.132 . . . . 0.0 110.3 169.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.13 -17.35 64.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.987 1.715 . . . . 0.0 113.409 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.19 -24.47 64.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.187 1.795 . . . . 0.0 112.571 172.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -81.66 -43.95 17.84 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.812 . . . . 0.0 112.421 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -143.11 119.1 10.65 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.783 2.033 . . . . 0.0 109.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -79.69 7.93 7.55 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.97 -71.63 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.263 1.025 . . . . 0.0 110.303 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -124.17 141.05 52.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 108.549 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -88.09 115.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.209 1.003 . . . . 0.0 110.636 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.69 153.29 31.05 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.927 0.891 . . . . 0.0 111.709 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -48.9 -43.27 39.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.013 1.325 . . . . 0.0 114.368 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -60.05 -42.37 94.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.812 0.733 . . . . 0.0 111.796 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -75.27 -33.6 61.28 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.063 0.945 . . . . 0.0 111.378 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.91 -44.58 89.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.512 1.125 . . . . 0.0 111.776 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.99 -45.22 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.926 0.784 . . . . 0.0 110.668 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.7 m -59.95 -41.17 91.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.421 1.088 . . . . 0.0 111.706 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -68.47 -40.47 80.98 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.216 1.006 . . . . 0.0 112.144 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.22 -23.06 66.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.33 0.968 . . . . 0.0 112.327 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.12 84.07 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-N 119.148 0.886 . . . . 0.0 112.21 169.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.5 69.46 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.158 0.979 . . . . 0.0 112.943 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -64.64 -46.42 82.6 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.424 0.689 . . . . 0.0 110.835 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.93 -31.3 69.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.129 0.971 . . . . 0.0 113.359 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.2 ptm -80.88 -11.47 59.58 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.8 tp -67.53 -31.17 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 120.859 1.663 . . . . 0.0 111.438 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -69.61 50.15 0.1 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.835 2.054 . . . . 0.0 113.598 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -56.32 -19.86 16.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.895 1.678 . . . . 0.0 115.125 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -55.04 -33.87 63.05 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.727 1.148 . . . . 0.0 112.185 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.38 -21.25 64.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.584 1.153 . . . . 0.0 113.834 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -98.87 -3.31 35.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.363 1.465 . . . . 0.0 112.929 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -82.86 -16.21 48.53 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.764 1.226 . . . . 0.0 113.688 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.385 0 C-N-CA 125.807 1.67 . . . . 0.0 113.105 -178.445 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -123.25 160.71 26.04 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.81 1.244 . . . . 0.0 111.772 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 87.67 166.44 42.45 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.824 1.202 . . . . 0.0 113.757 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.6 pp -59.58 -27.7 66.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 113.498 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.65 -30.86 23.22 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.018 1.327 . . . . 0.0 113.079 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -71.05 -10.82 60.41 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.36 -41.46 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.574 1.55 . . . . 0.0 108.544 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.3 -42.65 99.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.156 1.782 . . . . 0.0 111.097 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 66.9 tttm -54.7 -37.22 65.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.65 1.18 . . . . 0.0 112.698 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -64.65 -25.18 67.84 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.085 -1.009 . . . . 0.0 112.523 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 59.1 mt -93.87 -42.3 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.467 1.507 . . . . 0.0 110.739 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -52.93 -44.08 66.77 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.341 1.456 . . . . 0.0 112.562 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -82.48 -0.96 48.82 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.634 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -109.62 -30.23 8.0 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.998 1.719 . . . . 0.0 112.94 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -91.22 -157.97 34.22 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 125.713 1.625 . . . . 0.0 116.1 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.77 155.7 25.93 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.991 2.516 . . . . 0.0 115.659 -169.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.43 3.96 3.11 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.478 1.911 . . . . 0.0 112.851 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -65.49 -19.1 65.79 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.773 -1.205 . . . . 0.0 113.303 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 35.8 tpp -35.78 -56.93 0.68 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 128.171 2.588 . . . . 0.0 111.932 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.14 -25.03 67.58 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 33.8 mtm105 -72.54 -34.41 67.52 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.941 0.896 . . . . 0.0 111.544 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 43.4 m -66.44 -44.05 83.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.148 0.979 . . . . 0.0 110.819 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.34 -50.12 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.289 0.636 . . . . 0.0 110.829 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -54.95 -51.29 66.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.87 0.468 . . . . 0.0 111.592 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -57.57 -49.05 77.67 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.233 -0.917 . . . . 0.0 112.383 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.78 68.64 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -84.56 -40.48 17.51 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.408 1.083 . . . . 0.0 111.815 174.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.4 -25.09 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.158 0.983 . . . . 0.0 112.977 -171.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.11 -17.33 64.38 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.7 m -90.76 2.99 55.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.179 1.392 . . . . 0.0 114.337 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.213 0 C-N-CA 124.783 1.233 . . . . 0.0 113.664 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -73.62 145.58 45.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.005 0.922 . . . . 0.0 111.142 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -76.54 33.42 1.38 Allowed Glycine 0 N--CA 1.476 1.351 0 C-N-CA 125.848 1.69 . . . . 0.0 115.648 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 43.2 tp -55.85 -67.59 0.28 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.556 1.943 . . . . 0.0 111.72 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.23 -25.98 64.49 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -63.09 -20.9 65.79 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.926 -1.109 . . . . 0.0 113.886 172.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.64 -33.65 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.842 1.257 . . . . 0.0 109.591 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.89 -30.18 66.47 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.495 1.518 . . . . 0.0 111.486 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -55.22 -34.14 63.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.267 1.027 . . . . 0.0 112.0 171.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.91 -24.94 66.39 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.003 . . . . 0.0 113.276 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 28.1 mm -91.08 -47.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.45 1.5 . . . . 0.0 110.661 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -50.36 -45.75 55.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.915 1.286 . . . . 0.0 113.108 173.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.24 -1.88 28.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -85.23 -16.3 40.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.615 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 167.63 117.81 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.215 0.912 . . . . 0.0 114.795 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.84 -7.43 20.51 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.435 1.894 . . . . 0.0 113.42 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . 0.445 ' HA ' ' HE2' ' D' ' 208' ' ' LYS . 27.7 t70 -64.17 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 117.422 2.378 . . . . 0.0 117.422 -168.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -92.71 -25.94 18.0 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 40.3 tpp -57.92 -52.19 66.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.996 0.918 . . . . 0.0 110.357 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' D' ' 205' ' ' ASP . 29.8 pttt -60.32 -24.33 64.92 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 176.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -76.87 -40.79 46.34 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.39 0.996 . . . . 0.0 110.959 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.4 m -64.11 -46.08 85.77 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.114 1.366 . . . . 0.0 111.148 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.05 -49.38 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 122.839 0.456 . . . . 0.0 111.007 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -55.3 -48.87 73.47 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.61 0.641 . . . . 0.0 112.058 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.22 -52.43 64.47 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.078 -1.014 . . . . 0.0 112.1 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.54 68.83 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -85.95 -31.51 22.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.413 1.085 . . . . 0.0 113.441 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 78.3 t -91.28 -24.93 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 124.474 1.11 . . . . 0.0 113.415 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.45 -18.63 65.47 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 19.6 m -88.58 -0.68 57.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.934 1.294 . . . . 0.0 114.266 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.295 0 C-N-CA 124.968 1.307 . . . . 0.0 113.143 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 119.278 -0.391 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.68 -8.6 55.92 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -174.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -71.19 -31.77 2.08 Favored Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 118.83 2.9 . . . . 0.0 118.83 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -71.18 -41.55 2.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 123.153 2.162 . . . . 0.0 114.157 -169.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.07 -36.96 40.02 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.563 1.074 . . . . 0.0 111.301 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.46 -40.17 81.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.806 1.242 . . . . 0.0 112.493 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.61 -33.51 72.78 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.448 0.567 . . . . 0.0 112.287 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.46 66.7 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.383 0.992 . . . . 0.0 112.751 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.2 pt -67.28 -29.78 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.377 -0.827 . . . . 0.0 111.333 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.97 88.66 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.465 1.031 . . . . 0.0 113.017 170.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -54.01 43.16 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.012 1.325 . . . . 0.0 110.916 175.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.61 -42.58 67.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.883 1.673 . . . . 0.0 112.452 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.8 mt -65.24 -48.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.504 0.593 . . . . 0.0 111.195 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.74 -28.71 71.76 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.092 0.853 . . . . 0.0 113.405 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 mt -72.07 -47.21 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.398 1.099 . . . . 0.0 111.374 170.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -63.21 -47.44 82.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.37 -22.56 61.12 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -169.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.26 -44.19 71.62 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.186 0.903 . . . . 0.0 112.048 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.61 -36.85 23.58 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.903 1.281 . . . . 0.0 113.378 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 t -64.75 -44.13 91.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.14 4.85 85.4 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.49 1.043 . . . . 0.0 114.704 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -61.17 -36.69 80.51 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.039 1.419 . . . . 0.0 114.184 -169.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -101.33 12.63 37.09 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.588 1.555 . . . . 0.0 113.32 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.28 164.52 13.06 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.868 1.699 . . . . 0.0 111.469 -170.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.26 125.41 24.96 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -170.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -171.81 166.99 6.44 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 128.375 2.67 . . . . 0.0 110.102 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -119.1 31.19 6.75 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.96 1.304 . . . . 0.0 112.891 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.0 p -135.87 147.68 48.31 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.306 1.842 . . . . 0.0 111.416 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -111.92 123.1 49.52 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.905 1.282 . . . . 0.0 110.309 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.2 m -77.89 168.06 20.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.018 0.527 . . . . 0.0 111.087 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -56.58 -47.55 79.31 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.7 -1.875 . . . . 0.0 114.613 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -70.84 -40.37 72.42 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.191 -0.943 . . . . 0.0 111.885 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.36 -33.66 75.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.629 1.571 . . . . 0.0 112.041 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.77 -50.59 49.15 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.961 1.704 . . . . 0.0 110.295 169.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -54.26 -38.22 65.57 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.76 1.164 . . . . 0.0 112.852 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -56.01 -52.71 63.24 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.097 0.862 . . . . 0.0 110.648 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -55.59 -55.85 27.25 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.665 0.786 . . . . 0.0 111.084 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -70.61 -17.71 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.003 1.274 . . . . 0.0 114.378 -174.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -82.16 -43.38 17.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.047 1.294 . . . . 0.0 111.846 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -85.2 -36.63 20.88 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.67 -54.96 4.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 109.67 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.7 51.85 2.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.044 0.937 . . . . 0.0 110.139 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.0 m -49.25 116.36 1.68 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.857 2.463 . . . . 0.0 112.755 -169.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.1 pt -86.42 -14.05 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.03 1.332 . . . . 0.0 113.475 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.01 -152.9 33.54 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.378 1.466 . . . . 0.0 113.2 176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.1 m -69.39 -16.54 63.53 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.308 1.043 . . . . 0.0 113.526 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -70.18 126.16 28.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.663 1.585 . . . . 0.0 110.904 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.93 126.02 31.44 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.665 0.786 . . . . 0.0 110.891 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -138.9 20.0 2.65 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.897 1.679 . . . . 0.0 110.704 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.33 -25.39 68.28 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.271 -1.518 . . . . 0.0 113.144 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.61 71.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.44 1.096 . . . . 0.0 112.804 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -81.09 -34.22 32.81 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.641 0.776 . . . . 0.0 111.345 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -62.14 -43.9 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.638 0.775 . . . . 0.0 111.488 175.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.3 -30.67 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 CA-C-N 119.262 0.937 . . . . 0.0 112.286 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -79.24 -31.38 43.55 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.008 0.822 . . . . 0.0 112.356 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.95 -43.89 81.99 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 169.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -58.62 -41.83 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.838 0.855 . . . . 0.0 112.058 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.39 -35.39 80.8 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.068 0.947 . . . . 0.0 112.937 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.07 -33.63 70.42 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.224 -0.922 . . . . 0.0 112.965 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.21 -44.02 76.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.299 1.439 . . . . 0.0 111.307 169.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.75 -32.82 74.58 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.262 1.425 . . . . 0.0 113.242 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -5.94 43.68 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.438 1.017 . . . . 0.0 113.702 172.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.94 -34.73 44.18 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.18 0.9 . . . . 0.0 110.85 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -159.6 120.16 3.1 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.069 1.748 . . . . 0.0 111.069 169.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.78 131.94 50.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.504 1.922 . . . . 0.0 114.404 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 77.19 -36.2 0.24 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 130.025 3.33 . . . . 0.0 113.532 170.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 131.81 18.14 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.717 0.807 . . . . 0.0 111.056 169.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -94.45 123.16 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.384 1.474 . . . . 0.0 108.392 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -78.74 162.23 26.3 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 111.087 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.95 -41.76 64.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.92 -48.58 81.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.005 0.522 . . . . 0.0 110.957 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -70.56 -30.34 67.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.303 1.041 . . . . 0.0 112.385 -175.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.69 -41.73 95.73 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.44 0.696 . . . . 0.0 110.797 169.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.38 -35.98 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.418 -0.801 . . . . 0.0 112.429 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.1 m -54.93 -45.03 74.77 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.389 0.995 . . . . 0.0 110.904 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -63.35 -42.74 98.93 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.78 -22.49 65.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.549 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.04 -38.0 94.88 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 119.19 0.905 . . . . 0.0 112.734 169.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.7 -43.77 68.32 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 118.09 0.945 . . . . 0.0 111.509 171.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.94 -45.88 78.67 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.203 0.601 . . . . 0.0 111.431 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.989 1.316 . . . . 0.0 113.501 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.9 tpt -73.65 -37.09 65.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.914 0.779 . . . . 0.0 111.666 170.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -31.56 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.674 0.79 . . . . 0.0 111.448 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -69.4 42.31 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.629 1.572 . . . . 0.0 112.624 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -58.24 -19.44 34.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.751 2.02 . . . . 0.0 115.701 -169.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.67 -26.15 55.69 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.709 1.14 . . . . 0.0 112.928 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.36 -25.29 67.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.85 1.26 . . . . 0.0 113.499 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.05 -29.7 15.67 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.912 1.285 . . . . 0.0 110.953 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -71.41 -40.1 70.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.607 0.763 . . . . 0.0 112.421 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.335 0 C-N-CA 125.794 1.664 . . . . 0.0 114.097 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.7 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -169.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -53.03 -38.64 62.82 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.84 -32.96 77.19 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.878 3.052 . . . . 0.0 113.757 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.28 -43.89 20.53 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.853 0.752 . . . . 0.0 111.119 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -59.28 -39.97 84.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.465 0.706 . . . . 0.0 111.817 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -71.42 -23.85 61.93 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.36 -43.23 19.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.44 1.096 . . . . 0.0 112.778 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 pt -64.9 -32.88 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 120.513 -1.367 . . . . 0.0 110.128 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -19.87 67.56 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.819 1.2 . . . . 0.0 113.369 169.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -51.55 31.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.527 1.663 . . . . 0.0 109.071 170.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -57.69 -41.7 82.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.764 0.826 . . . . 0.0 110.939 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mm -75.75 -37.19 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 118.797 0.726 . . . . 0.0 111.92 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.15 -26.85 73.36 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.199 0.904 . . . . 0.0 112.63 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 38.3 mt -74.74 -56.61 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.499 1.12 . . . . 0.0 110.785 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -63.08 -53.79 48.08 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.538 0.735 . . . . 0.0 112.349 -170.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.97 -25.12 61.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.79 -48.88 79.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.865 0.866 . . . . 0.0 111.076 169.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.21 -27.9 64.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -67.63 -46.5 72.31 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.373 0.988 . . . . 0.0 110.87 169.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.28 -18.44 75.05 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.256 1.408 . . . . 0.0 114.101 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.15 -34.19 77.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.597 1.159 . . . . 0.0 111.71 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -87.24 -33.1 19.41 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.423 1.089 . . . . 0.0 111.708 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 10.21 64.05 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.172 1.368 . . . . 0.0 114.467 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -91.06 -149.11 0.22 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.434 1.494 . . . . 0.0 111.241 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.0 176.22 4.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.987 1.315 . . . . 0.0 112.21 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -72.49 59.91 0.45 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.161 2.184 . . . . 0.0 113.217 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.4 p -133.45 167.15 20.96 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.868 2.067 . . . . 0.0 110.94 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.69 141.34 34.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.475 1.51 . . . . 0.0 111.174 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.2 p -82.82 160.38 22.24 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -59.71 -33.46 71.64 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.406 -1.434 . . . . 0.0 113.297 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -69.34 -34.61 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.13 -39.24 75.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.518 1.053 . . . . 0.0 111.357 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.34 -41.79 94.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.809 1.243 . . . . 0.0 110.87 169.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -61.78 -37.74 85.47 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.238 -1.538 . . . . 0.0 112.37 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.08 -44.46 88.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.23 0.612 . . . . 0.0 111.858 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.29 -49.01 67.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.725 1.21 . . . . 0.0 110.595 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.3 mt -60.72 -47.12 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.088 0.955 . . . . 0.0 111.749 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.92 -20.12 64.22 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.303 1.41 . . . . 0.0 113.197 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -60.32 2.4 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.595 1.158 . . . . 0.0 111.424 169.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -89.82 -17.3 28.4 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -135.7 37.95 2.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.688 2.395 . . . . 0.0 109.626 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 25.6 m -41.7 123.35 2.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.701 2.4 . . . . 0.0 113.005 -170.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.4 tt -135.98 -22.23 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.138 0.975 . . . . 0.0 113.484 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.35 -144.78 38.02 Favored Glycine 0 C--N 1.34 0.78 0 C-N-CA 124.516 1.055 . . . . 0.0 112.292 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -88.53 -92.72 0.11 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.589 1.155 . . . . 0.0 110.826 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 75.8 tttt 58.37 16.49 4.12 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.765 1.626 . . . . 0.0 112.992 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 mp 66.97 7.96 5.75 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.317 2.647 . . . . 0.0 112.807 -170.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -87.76 -16.54 33.9 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.089 1.356 . . . . 0.0 111.753 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -53.15 -37.41 61.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.716 1.606 . . . . 0.0 112.728 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -27.87 69.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.97 1.308 . . . . 0.0 113.666 173.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.35 -37.5 25.57 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.822 0.849 . . . . 0.0 111.082 170.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.1 mm -62.96 -41.52 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.051 0.94 . . . . 0.0 111.728 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.11 -29.77 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.266 0.939 . . . . 0.0 112.303 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -78.16 -32.84 50.4 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.352 1.433 . . . . 0.0 111.519 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -65.38 -28.46 69.29 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.373 0.988 . . . . 0.0 112.513 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -78.14 -31.56 49.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.954 1.301 . . . . 0.0 112.642 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.58 -33.16 72.33 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.96 1.304 . . . . 0.0 111.941 171.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.28 -51.57 65.57 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.88 1.272 . . . . 0.0 109.689 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.69 -22.89 66.07 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 -59.9 -15.06 18.56 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -70.8 -26.75 63.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.194 0.906 . . . . 0.0 113.202 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -132.98 -150.02 0.4 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.706 2.002 . . . . 0.0 111.745 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.21 -28.28 8.71 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -171.43 -27.63 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.602 1.561 . . . . 0.0 112.927 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.01 141.43 52.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.516 1.127 . . . . 0.0 111.311 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.87 135.75 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.227 1.411 . . . . 0.0 108.801 169.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.16 179.48 5.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.93 0.872 . . . . 0.0 110.645 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -56.29 -40.88 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -40.78 79.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.792 0.724 . . . . 0.0 111.26 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.31 -37.32 86.81 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.964 0.905 . . . . 0.0 112.084 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.08 -44.77 94.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.109 0.413 . . . . 0.0 111.665 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 27.0 mm -71.65 -41.01 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.516 -0.74 . . . . 0.0 110.875 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -61.52 -45.21 95.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.022 1.329 . . . . 0.0 111.312 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -68.82 -37.74 79.4 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.211 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.7 -31.01 72.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.97 1.259 . . . . 0.0 111.899 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.94 71.68 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.198 0.904 . . . . 0.0 113.459 170.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.25 -48.59 12.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.299 1.05 . . . . 0.0 111.344 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 23.7 tp -52.63 -46.29 67.01 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.709 1.204 . . . . 0.0 111.379 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.73 66.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.718 1.207 . . . . 0.0 113.708 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.2 tpt -78.64 -35.82 44.87 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.366 1.066 . . . . 0.0 112.166 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.54 -34.59 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.679 0.672 . . . . 0.0 109.852 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . 0.407 ' HA ' ' CZ ' ' C' ' 200' ' ' TYR . 3.6 m-30 -70.7 40.99 0.06 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 126.654 1.981 . . . . 0.0 113.45 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.55 -25.62 27.1 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 128.089 2.555 . . . . 0.0 116.596 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -66.02 -24.76 66.82 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.674 1.124 . . . . 0.0 112.455 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.08 79.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.912 -1.118 . . . . 0.0 111.637 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.09 -23.81 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.283 1.033 . . . . 0.0 111.994 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -69.71 -20.26 63.54 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.804 1.183 . . . . 0.0 113.903 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 C-N-CA 125.168 1.366 . . . . 0.0 113.736 -177.668 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -138.64 167.84 21.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.141 1.376 . . . . 0.0 111.47 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -77.21 59.21 3.61 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.418 1.485 . . . . 0.0 113.967 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.72 -32.82 31.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.57 1.948 . . . . 0.0 114.094 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 76.6 mtm -49.97 -32.68 15.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.39 1.476 . . . . 0.0 112.515 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -63.86 -22.81 67.09 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.49 -41.86 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.44 1.896 . . . . 0.0 109.336 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.57 -41.46 97.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.424 1.489 . . . . 0.0 111.408 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.41 -32.72 73.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.587 0.755 . . . . 0.0 112.803 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -66.96 -28.33 68.19 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.192 -0.942 . . . . 0.0 112.544 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 81.7 mt -89.34 -44.09 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.148 1.779 . . . . 0.0 110.278 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 84' ' ' TYR . 4.0 t80 -46.24 -48.37 17.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.783 1.633 . . . . 0.0 113.32 170.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.81 -4.56 24.72 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -109.59 10.04 25.08 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.485 1.914 . . . . 0.0 112.853 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.45 -179.72 44.9 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 126.173 1.844 . . . . 0.0 115.687 -173.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.06 153.3 24.97 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.269 1.428 . . . . 0.0 114.546 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.93 -17.22 53.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.594 1.558 . . . . 0.0 114.65 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.39 -13.1 61.71 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.6 ttm -49.67 -65.3 0.59 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 0.0 111.18 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -58.94 -32.87 69.98 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.442 -0.787 . . . . 0.0 112.811 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.76 -43.34 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.076 0.95 . . . . 0.0 111.704 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 23.0 m -78.86 -37.29 40.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.9 1.28 . . . . 0.0 111.211 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 16.8 mm -55.48 -50.04 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.583 0.753 . . . . 0.0 111.145 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.52 -50.49 72.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.426 0.691 . . . . 0.0 111.317 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -57.54 -52.71 64.31 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.086 -1.009 . . . . 0.0 112.549 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.3 67.59 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -78.58 -46.83 18.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.636 0.775 . . . . 0.0 111.884 171.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 77.7 t -80.61 -20.75 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.609 1.164 . . . . 0.0 113.759 -169.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.94 -15.36 62.91 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 175.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.1 m -96.77 0.78 49.99 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.285 1.434 . . . . 0.0 114.035 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.254 1.316 0 C-N-CA 125.208 1.403 . . . . 0.0 112.652 -178.413 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -73.35 143.38 46.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.461 0.705 . . . . 0.0 111.511 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -83.58 -2.89 89.95 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.54 1.067 . . . . 0.0 114.804 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.47 -32.53 62.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 113.943 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.8 ptp -53.1 -28.36 24.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.894 1.278 . . . . 0.0 113.698 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.47 -20.52 65.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.282 1.033 . . . . 0.0 113.775 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.17 -42.71 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.375 1.47 . . . . 0.0 108.738 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -65.97 -33.06 74.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.147 1.379 . . . . 0.0 112.034 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.54 -32.65 67.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.977 0.911 . . . . 0.0 112.676 171.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -68.09 -16.4 64.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.279 -0.888 . . . . 0.0 113.218 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 37.4 mm -92.96 -45.14 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.077 1.351 . . . . 0.0 110.51 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -51.0 -41.63 59.87 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.906 1.282 . . . . 0.0 113.501 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.72 -3.51 15.69 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.59 -30.01 36.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.997 0.919 . . . . 0.0 112.648 170.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.86 170.85 26.75 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.965 1.745 . . . . 0.0 114.74 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -160.37 146.37 15.27 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.424 1.49 . . . . 0.0 111.753 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . 0.512 ' HA ' ' HE3' ' D' ' 208' ' ' LYS . 32.5 t70 -95.76 -23.7 16.84 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -91.94 -24.04 19.39 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -61.14 2.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.923 1.289 . . . . 0.0 110.722 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' D' ' 205' ' ' ASP . 19.0 pttp -67.04 -24.84 66.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.456 1.502 . . . . 0.0 113.967 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -68.51 -35.23 77.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.881 0.764 . . . . 0.0 111.793 173.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.5 m -67.04 -48.06 69.47 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.238 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.1 mm -52.54 -42.35 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.31 0.644 . . . . 0.0 111.567 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -62.1 -66.03 0.6 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.117 0.567 . . . . 0.0 111.502 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -60.85 -33.5 73.15 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.55 -1.344 . . . . 0.0 113.663 -172.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.35 62.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -91.12 -36.18 14.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.935 0.894 . . . . 0.0 112.328 171.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 24.3 t -67.67 -15.0 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 124.732 1.213 . . . . 0.0 113.492 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -60.78 -15.06 25.63 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 169.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 84.8 p -73.49 -17.96 61.16 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.684 1.194 . . . . 0.0 114.17 173.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.31 1.444 . . . . 0.0 112.761 -173.725 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mmt . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 119.423 -0.322 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.7 -49.92 0.57 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 129.198 2.999 . . . . 0.0 112.576 -170.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -53.32 -29.73 4.88 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -62.13 -38.31 57.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.396 2.064 . . . . 0.0 113.007 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -80.25 -38.93 29.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.717 0.69 . . . . 0.0 111.428 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -61.94 -36.13 80.49 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.591 0.632 . . . . 0.0 112.429 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -76.59 -17.0 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.0 -52.1 7.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.753 1.16 . . . . 0.0 112.509 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.9 pt -64.09 -32.7 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 120.892 -1.13 . . . . 0.0 111.338 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.89 -22.58 73.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.612 1.101 . . . . 0.0 113.671 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -48.01 66.9 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.94 1.37 . . . . 0.0 109.549 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.84 -41.77 92.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.2 1.0 . . . . 0.0 110.897 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.98 -51.05 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.778 0.717 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.72 -29.02 72.71 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 124.368 0.985 . . . . 0.0 113.037 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.6 mt -68.39 -58.67 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 169.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.78 -49.6 77.1 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.991 1.316 . . . . 0.0 113.815 -170.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -69.71 -20.33 63.54 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.48 -36.28 83.42 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.771 -1.206 . . . . 0.0 111.585 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 97.6 m-85 -81.18 -26.65 35.83 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.444 1.097 . . . . 0.0 113.298 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -56.34 -30.26 62.4 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.51 11.53 54.08 Favored Glycine 0 N--CA 1.471 1.013 0 C-N-CA 125.168 1.366 . . . . 0.0 114.966 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HZ1' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.96 -50.12 51.9 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.403 1.602 . . . . 0.0 111.355 -176.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -152.23 -18.11 0.18 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.925 1.69 . . . . 0.0 113.719 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.15 -157.25 20.19 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.323 1.44 . . . . 0.0 113.69 170.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -152.65 142.96 22.52 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.877 1.671 . . . . 0.0 111.014 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.7 mttp 70.09 177.41 0.27 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.073 2.149 . . . . 0.0 111.809 -174.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -74.15 60.92 0.82 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 125.488 1.515 . . . . 0.0 113.536 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -160.55 148.88 16.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.347 2.259 . . . . 0.0 110.258 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mp -118.29 149.05 41.8 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.802 1.241 . . . . 0.0 110.732 -175.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -77.57 169.83 17.62 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.009 -1.057 . . . . 0.0 111.324 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -53.69 -53.44 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.701 -1.249 . . . . 0.0 112.011 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.95 -41.31 97.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.404 1.082 . . . . 0.0 112.111 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.38 -35.13 78.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.386 1.074 . . . . 0.0 111.947 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.75 -43.09 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.606 1.162 . . . . 0.0 111.077 169.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -56.53 -38.4 71.8 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.923 -1.111 . . . . 0.0 110.811 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' CD ' ' HZ1' ' A' ' 22' ' ' LYS . 7.9 tt0 -66.38 -43.07 86.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.331 1.053 . . . . 0.0 112.077 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 7.4 tt -52.29 -47.93 65.61 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.516 1.053 . . . . 0.0 110.384 169.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.94 -47.31 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.206 0.912 . . . . 0.0 111.292 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -64.93 -39.66 93.86 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.988 0.813 . . . . 0.0 113.018 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -87.01 -35.75 18.61 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -87.31 -49.02 7.53 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.281 0.946 . . . . 0.0 112.786 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.9 mt -87.94 77.47 8.47 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.513 1.149 . . . . 0.0 108.834 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p -71.95 48.53 0.17 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 128.015 2.526 . . . . 0.0 113.798 -174.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.1 pt -84.95 0.27 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.191 1.796 . . . . 0.0 114.004 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.49 -11.48 55.68 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.393 1.473 . . . . 0.0 114.803 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 m 71.9 -18.0 0.33 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 128.599 2.76 . . . . 0.0 115.333 172.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.8 mttp 42.82 -110.78 0.15 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.519 1.928 . . . . 0.0 112.968 169.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -118.42 20.35 13.07 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.052 2.141 . . . . 0.0 111.677 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -87.93 -10.22 51.22 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.723 1.609 . . . . 0.0 113.325 -169.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -52.15 -42.62 63.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.633 1.56 . . . . 0.0 113.668 -172.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.48 69.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.445 1.098 . . . . 0.0 112.936 175.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -81.19 -33.4 33.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.901 1.28 . . . . 0.0 111.305 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.8 mm -63.91 -45.13 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.053 -1.029 . . . . 0.0 111.524 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.25 -22.24 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.846 0.748 . . . . 0.0 112.537 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -79.05 -38.85 35.41 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 112.194 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.15 -37.44 87.46 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.53 1.132 . . . . 0.0 111.679 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.0 ttp -57.49 -41.16 80.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.913 1.285 . . . . 0.0 111.815 169.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.35 -36.76 68.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.76 0.824 . . . . 0.0 112.863 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -64.66 -31.6 72.89 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.17 0.896 . . . . 0.0 112.544 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.43 -44.6 71.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -69.18 -20.54 64.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.93 1.292 . . . . 0.0 114.392 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -48.04 -32.4 6.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.159 1.384 . . . . 0.0 112.965 171.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -78.59 -4.48 49.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.39 1.476 . . . . 0.0 113.728 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -149.51 -130.35 0.05 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.012 1.325 . . . . 0.0 111.585 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.95 -53.39 0.09 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.06 . . . . 0.0 113.625 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -105.32 -42.92 5.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.291 1.036 . . . . 0.0 111.915 -176.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.34 157.94 44.25 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.212 1.805 . . . . 0.0 112.016 -169.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.22 102.43 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.036 2.135 . . . . 0.0 108.812 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.11 155.41 27.52 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.87 1.268 . . . . 0.0 112.452 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -51.34 -39.13 56.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.805 1.642 . . . . 0.0 114.602 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.61 -47.39 85.66 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.081 0.552 . . . . 0.0 110.866 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.06 -35.46 66.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.154 0.582 . . . . 0.0 111.161 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.44 -48.64 76.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.889 1.275 . . . . 0.0 111.815 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -74.06 -37.37 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.367 0.985 . . . . 0.0 112.075 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.8 m -54.22 -44.77 71.98 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.233 1.013 . . . . 0.0 111.041 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -70.94 -40.19 72.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.655 1.182 . . . . 0.0 113.115 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.22 -19.26 61.44 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.854 0.752 . . . . 0.0 112.581 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.17 -38.38 95.86 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.688 1.131 . . . . 0.0 112.5 169.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.53 65.3 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.135 0.967 . . . . 0.0 111.967 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.5 -18.73 64.45 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.57 -46.73 15.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 168.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.0 ttp -65.72 -26.93 67.97 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 tp -58.02 -31.41 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.721 0.808 . . . . 0.0 113.016 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -74.13 48.35 0.31 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.654 1.581 . . . . 0.0 112.332 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -50.33 -19.77 0.91 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.06 2.944 . . . . 0.0 116.735 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.65 -41.24 85.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.648 1.567 . . . . 0.0 111.568 170.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 -16.02 63.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.53 1.132 . . . . 0.0 113.428 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.93 7.81 45.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.502 1.921 . . . . 0.0 111.481 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -121.55 -45.0 2.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.395 1.478 . . . . 0.0 111.984 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.675 -1.625 . . . . 0.0 113.233 176.706 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mmm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.78 68.03 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -63.02 -39.64 54.3 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -173.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -57.88 -39.21 88.6 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.622 2.881 . . . . 0.0 114.141 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.42 -43.25 50.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.402 1.001 . . . . 0.0 111.252 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.25 -38.4 79.97 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.775 1.23 . . . . 0.0 112.817 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.94 -27.26 60.93 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.79 -48.39 25.68 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.764 1.165 . . . . 0.0 112.059 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.1 pt -64.03 -29.54 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.053 -1.029 . . . . 0.0 111.696 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.43 -27.17 73.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.309 0.956 . . . . 0.0 113.481 172.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -48.43 73.0 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.851 1.326 . . . . 0.0 110.153 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.55 -40.57 87.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.027 0.931 . . . . 0.0 111.796 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -64.4 -45.48 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.063 0.847 . . . . 0.0 110.808 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -30.84 74.54 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.358 0.98 . . . . 0.0 113.318 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -76.45 -44.04 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.159 0.984 . . . . 0.0 112.206 171.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -73.76 -54.08 8.86 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.764 0.826 . . . . 0.0 112.838 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -73.17 -21.01 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -66.21 -29.21 69.43 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.14 -0.975 . . . . 0.0 112.772 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -81.15 -30.5 34.43 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 169.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.7 m -64.47 -49.65 70.59 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.701 -1.25 . . . . 0.0 111.595 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.89 -15.59 69.39 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.032 1.301 . . . . 0.0 114.423 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -64.17 -33.32 75.53 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.296 1.048 . . . . 0.0 111.601 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -100.46 -21.5 15.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.461 1.504 . . . . 0.0 113.044 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.55 18.9 31.38 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.581 1.563 . . . . 0.0 114.021 -176.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -74.69 144.54 43.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.336 1.054 . . . . 0.0 112.885 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -77.52 -48.11 17.87 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -149.15 24.95 0.91 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.773 1.229 . . . . 0.0 113.889 -171.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -147.1 161.03 41.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.888 0.875 . . . . 0.0 113.028 -169.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt -131.47 148.61 52.66 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.91 2.084 . . . . 0.0 109.539 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.3 p -78.99 161.2 26.8 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.678 -0.639 . . . . 0.0 109.455 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -56.27 -30.28 62.24 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.861 -1.15 . . . . 0.0 113.202 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.32 -39.42 32.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 112.779 173.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.54 -36.21 82.13 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.473 1.033 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.14 -46.17 90.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.367 1.067 . . . . 0.0 109.999 169.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -58.81 -39.88 82.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.285 -0.885 . . . . 0.0 111.968 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -66.18 -41.23 90.54 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.104 0.865 . . . . 0.0 112.464 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tt -54.29 -51.9 63.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.151 0.98 . . . . 0.0 110.594 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.14 -42.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.879 -0.581 . . . . 0.0 111.757 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.32 -32.0 72.7 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.194 0.907 . . . . 0.0 113.005 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -49.99 7.51 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.573 1.079 . . . . 0.0 113.035 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -85.34 -33.0 22.15 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.986 0.914 . . . . 0.0 113.103 -169.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.8 49.94 0.95 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.92 1.688 . . . . 0.0 108.636 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -72.92 128.05 34.34 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.635 0.774 . . . . 0.0 111.29 -177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.8 pt -147.58 9.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 127.446 2.298 . . . . 0.0 112.353 -171.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.98 -11.88 46.47 Favored Glycine 0 N--CA 1.476 1.358 0 C-N-CA 125.499 1.523 . . . . 0.0 116.439 -169.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.3 m -64.03 -21.5 66.54 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.591 1.196 . . . . 0.0 112.293 169.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -109.2 -74.02 0.67 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.002 1.721 . . . . 0.0 110.922 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -153.63 148.24 26.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 128.111 2.564 . . . . 0.0 108.833 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -156.93 -83.65 0.06 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.733 0.697 . . . . 0.0 111.923 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.12 -53.59 7.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.583 1.953 . . . . 0.0 114.355 -168.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.91 66.52 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.812 0.845 . . . . 0.0 113.088 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.09 -43.26 19.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.525 0.73 . . . . 0.0 110.808 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.63 -36.48 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.83 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.7 m -66.72 -29.67 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.197 1.362 . . . . 0.0 113.038 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -81.06 -34.18 32.92 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.265 0.939 . . . . 0.0 112.891 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.29 -41.8 89.27 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.593 -1.317 . . . . 0.0 112.351 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -27.99 66.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.209 0.913 . . . . 0.0 111.855 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.91 -26.07 63.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.069 1.347 . . . . 0.0 112.895 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.67 -27.36 37.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.437 1.095 . . . . 0.0 113.386 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.38 -42.3 36.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.771 1.228 . . . . 0.0 111.693 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.91 -31.82 66.76 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.227 1.411 . . . . 0.0 114.238 -176.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -63.92 -9.49 15.72 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -68.9 -22.2 64.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.896 0.879 . . . . 0.0 112.338 169.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -136.32 -129.4 0.14 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.637 2.375 . . . . 0.0 109.528 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -150.4 6.8 0.57 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -170.66 -32.93 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.372 1.469 . . . . 0.0 112.667 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -134.29 164.28 27.74 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.177 1.391 . . . . 0.0 111.665 -171.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.72 123.97 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.448 1.499 . . . . 0.0 109.797 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -81.96 164.24 21.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.183 0.993 . . . . 0.0 111.808 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -60.79 -43.14 98.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -172.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.8 -33.66 75.24 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.206 -0.934 . . . . 0.0 111.799 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.3 -39.27 82.09 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.194 0.907 . . . . 0.0 111.399 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -61.65 -43.91 97.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.917 1.287 . . . . 0.0 111.609 172.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.08 -35.44 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.001 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 92.1 m -59.23 -43.58 92.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.387 1.075 . . . . 0.0 110.789 172.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.18 -42.74 99.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.275 172.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.86 -28.75 70.06 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.836 1.198 . . . . 0.0 112.319 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.74 95.23 Favored Glycine 0 N--CA 1.468 0.826 0 C-N-CA 124.544 1.069 . . . . 0.0 112.141 169.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.66 85.18 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 117.976 0.888 . . . . 0.0 112.819 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.47 -47.7 81.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.598 1.159 . . . . 0.0 110.801 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -31.37 72.08 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.784 1.234 . . . . 0.0 113.145 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 53.6 tpp -68.51 -40.97 80.63 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.143 0.977 . . . . 0.0 112.072 173.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.01 -34.02 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.716 0.807 . . . . 0.0 110.967 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -72.54 47.59 0.17 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.938 1.351 . . . . 0.0 112.005 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.02 -25.21 63.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.087 2.155 . . . . 0.0 115.363 -169.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.12 -42.98 79.4 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.31 0.959 . . . . 0.0 111.115 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.0 86.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.034 -1.041 . . . . 0.0 111.118 173.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.03 -2.19 17.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.96 1.704 . . . . 0.0 114.0 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -122.55 -20.06 6.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.025 1.33 . . . . 0.0 113.761 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.837 2.161 . . . . 0.0 112.831 172.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.592 0.234 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.16 -17.38 35.08 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.858 1.663 . . . . 0.0 112.524 170.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 86.87 133.66 3.73 Favored Glycine 0 C--N 1.344 0.979 0 C-N-CA 125.592 1.568 . . . . 0.0 112.918 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.26 -47.6 85.29 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.275 0.63 . . . . 0.0 112.213 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -58.97 -17.59 26.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.356 1.462 . . . . 0.0 114.326 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -86.53 -16.04 38.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 79.8 t -95.33 -40.57 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.425 1.49 . . . . 0.0 108.373 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.19 -30.98 62.48 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.713 1.605 . . . . 0.0 112.008 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -61.54 -26.71 68.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.79 1.177 . . . . 0.0 113.467 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -65.53 -25.94 67.67 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.302 -0.874 . . . . 0.0 111.954 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 28.3 mt -92.12 -36.11 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.488 1.515 . . . . 0.0 110.411 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -54.98 -41.83 71.68 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.043 -1.036 . . . . 0.0 112.766 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -70.69 -9.67 57.66 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -111.21 13.85 21.76 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.548 2.339 . . . . 0.0 112.528 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.81 147.06 37.67 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.73 1.633 . . . . 0.0 115.718 -169.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -78.18 143.02 37.56 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.293 1.437 . . . . 0.0 114.326 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.74 -29.34 51.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.741 1.216 . . . . 0.0 114.084 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -73.21 -19.4 61.1 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.014 0.825 . . . . 0.0 112.95 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.3 -38.52 87.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.846 0.748 . . . . 0.0 111.436 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.72 -30.05 71.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.847 0.859 . . . . 0.0 113.025 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -77.97 -35.43 50.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.328 0.651 . . . . 0.0 112.517 170.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 86.6 m -61.81 -53.91 49.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.827 1.651 . . . . 0.0 111.638 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.05 -29.15 42.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -75.65 -54.96 6.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.192 0.997 . . . . 0.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.31 -41.25 96.67 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.634 -1.291 . . . . 0.0 112.066 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.15 68.35 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -74.32 -45.94 44.14 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.735 0.698 . . . . 0.0 110.997 170.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.88 -42.18 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 125.273 1.429 . . . . 0.0 114.041 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -70.54 -6.52 36.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.142 1.777 . . . . 0.0 115.338 -169.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 72.9 m -126.45 144.37 50.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.866 1.266 . . . . 0.0 110.338 169.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.084 1.753 . . . . 0.0 112.017 -178.518 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -162.27 164.54 27.54 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.452 1.501 . . . . 0.0 111.252 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -162.84 145.9 11.17 Favored Glycine 0 N--CA 1.471 0.988 0 C-N-CA 124.977 1.275 . . . . 0.0 112.649 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.29 -32.95 73.75 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.394 1.078 . . . . 0.0 113.657 -174.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -54.09 -29.76 45.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.702 1.201 . . . . 0.0 113.824 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -67.51 -17.18 64.57 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.17 -35.69 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.437 1.495 . . . . 0.0 109.794 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.25 -31.9 73.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.44 1.096 . . . . 0.0 111.238 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -52.35 -32.95 40.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.973 1.309 . . . . 0.0 112.607 170.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -71.18 -15.15 62.46 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.894 -1.129 . . . . 0.0 113.146 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.82 -43.5 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.495 1.518 . . . . 0.0 110.789 170.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.36 -43.83 68.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.702 0.801 . . . . 0.0 113.005 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.24 -0.64 15.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.637 1.575 . . . . 0.0 113.844 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.57 -23.36 53.53 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.981 0.912 . . . . 0.0 112.051 169.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.25 15.85 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.494 1.997 . . . . 0.0 113.432 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.49 159.21 21.81 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.336 1.854 . . . . 0.0 110.725 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -155.79 -50.41 0.08 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.34 -28.64 63.18 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.887 0.767 . . . . 0.0 112.64 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 17.7 mmt -48.56 -50.07 33.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.707 1.203 . . . . 0.0 111.054 169.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.53 -20.4 66.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.252 1.021 . . . . 0.0 112.934 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -88.25 -42.15 12.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.713 0.805 . . . . 0.0 111.919 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.1 m -70.5 -48.27 56.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 111.879 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.63 -44.32 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.864 0.466 . . . . 0.0 110.236 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -55.07 -60.83 2.84 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.863 0.465 . . . . 0.0 111.546 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -61.37 -37.13 82.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.995 -1.066 . . . . 0.0 113.017 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.45 84.1 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -79.32 -37.42 37.65 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.066 0.546 . . . . 0.0 111.729 175.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 22.8 t -58.24 -40.28 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.084 1.353 . . . . 0.0 112.073 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.46 -10.83 48.14 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.444 1.498 . . . . 0.0 113.646 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 58.7 m -119.94 5.1 10.91 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.305 1.442 . . . . 0.0 113.885 172.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.116 1.366 . . . . 0.0 113.329 -177.72 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.06 -22.81 58.12 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -169.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -40.86 -49.88 7.54 Favored Pre-proline 0 N--CA 1.478 0.972 0 N-CA-C 117.352 2.352 . . . . 0.0 117.352 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.22 -28.87 33.4 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.116 1.877 . . . . 0.0 113.527 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -82.21 -39.47 23.07 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.168 0.894 . . . . 0.0 112.096 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.68 -36.57 79.07 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.827 1.651 . . . . 0.0 112.555 -176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -67.21 -30.8 70.83 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 170.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.98 -47.15 14.03 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.455 1.025 . . . . 0.0 112.262 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -62.84 -29.12 46.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.763 0.711 . . . . 0.0 111.343 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -25.47 73.88 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-O 118.283 -1.287 . . . . 0.0 114.146 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -49.25 55.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.704 1.752 . . . . 0.0 109.802 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.68 -41.97 82.66 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.656 1.182 . . . . 0.0 111.998 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.89 -38.67 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.761 0.71 . . . . 0.0 111.15 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.31 -47.95 88.07 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.434 1.016 . . . . 0.0 112.102 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.93 -36.73 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.376 1.088 . . . . 0.0 111.717 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.31 -59.8 3.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.949 0.9 . . . . 0.0 111.788 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -23.44 61.6 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -170.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -53.62 -42.86 68.19 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.025 1.33 . . . . 0.0 111.047 169.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.5 -38.79 25.74 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 117.791 -1.1 . . . . 0.0 113.716 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.3 m -58.82 -29.33 66.82 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.662 1.573 . . . . 0.0 113.769 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.82 60.6 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.848 -0.973 . . . . 0.0 114.89 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.6 -51.99 24.46 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.358 1.579 . . . . 0.0 111.863 171.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -89.59 -28.84 19.28 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.564 0.62 . . . . 0.0 112.31 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.46 126.69 0.89 Allowed Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.41 1.005 . . . . 0.0 112.68 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.64 110.6 1.03 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.474 1.51 . . . . 0.0 112.703 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -167.03 163.33 15.87 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.179 1.792 . . . . 0.0 110.051 -170.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 20.04 0.06 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -141.47 143.25 33.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.039 1.735 . . . . 0.0 111.55 -172.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 mt -104.75 137.72 42.13 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 0.0 109.465 169.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.2 m -78.48 157.82 28.8 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.21 -0.931 . . . . 0.0 111.045 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -58.24 -36.17 72.8 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.049 -1.657 . . . . 0.0 114.863 -169.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -78.3 -30.75 48.55 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -67.01 -41.95 85.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.094 1.758 . . . . 0.0 109.989 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.67 -45.77 88.66 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.729 2.012 . . . . 0.0 110.104 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.13 -43.11 99.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.774 -1.203 . . . . 0.0 111.781 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -62.12 -36.5 81.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.418 0.687 . . . . 0.0 112.327 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.57 -50.46 73.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.686 0.794 . . . . 0.0 110.111 169.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.33 -41.26 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 118.02 -0.991 . . . . 0.0 111.631 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -59.51 -32.54 70.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.293 1.406 . . . . 0.0 112.958 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -84.76 -39.18 18.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.621 0.768 . . . . 0.0 112.585 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.38 -67.14 0.46 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.924 0.89 . . . . 0.0 110.341 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -94.54 76.43 3.81 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.865 1.266 . . . . 0.0 110.146 -171.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p -81.14 88.75 5.98 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -77.53 -10.78 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.138 0.975 . . . . 0.0 111.949 -169.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.2 -144.86 17.36 Favored Glycine 0 N--CA 1.473 1.142 0 O-C-N 120.96 -1.087 . . . . 0.0 115.322 168.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 m -76.57 38.16 0.19 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.933 2.093 . . . . 0.0 115.132 -169.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.34 144.87 22.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.986 1.714 . . . . 0.0 111.745 174.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.71 129.54 41.51 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.2 1.4 . . . . 0.0 110.957 -170.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.49 -23.09 4.16 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -56.28 -42.91 78.27 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.168 1.349 . . . . 0.0 113.559 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.17 68.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 113.429 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -81.02 -38.7 27.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.403 0.681 . . . . 0.0 111.118 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -67.21 -37.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.226 0.921 . . . . 0.0 112.103 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.81 -29.44 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.639 1.109 . . . . 0.0 112.024 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.46 -33.08 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 170.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -46.85 88.28 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.788 -1.195 . . . . 0.0 111.341 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -64.95 -28.87 69.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.5 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.87 -31.1 70.68 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.504 1.047 . . . . 0.0 112.64 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.19 -19.4 47.14 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 170.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.34 -40.82 25.93 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.379 1.071 . . . . 0.0 110.778 169.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.68 -6.69 33.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.115 2.166 . . . . 0.0 112.919 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -58.74 -22.17 57.05 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.815 1.246 . . . . 0.0 112.554 172.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -81.88 -30.61 31.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.59 1.556 . . . . 0.0 113.129 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -171.35 129.67 0.71 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.269 2.628 . . . . 0.0 110.334 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.42 -17.48 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 -168.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -108.16 -22.61 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -161.23 160.21 29.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.291 1.037 . . . . 0.0 112.28 -169.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.9 114.65 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.398 1.479 . . . . 0.0 109.656 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -77.83 149.61 34.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -53.05 -40.42 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -175.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -61.82 -40.73 96.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.257 -0.902 . . . . 0.0 111.323 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -74.35 -31.98 62.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.509 1.124 . . . . 0.0 111.854 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.58 -45.12 94.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.795 1.238 . . . . 0.0 111.163 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mm -64.71 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.35 -0.844 . . . . 0.0 110.95 173.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -59.5 -44.47 93.09 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.399 1.08 . . . . 0.0 110.971 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -62.97 -40.63 98.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.601 0.76 . . . . 0.0 112.202 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.88 -27.62 68.35 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.423 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.39 93.25 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.005 0.812 . . . . 0.0 112.57 170.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.51 -45.23 76.41 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 117.821 0.81 . . . . 0.0 111.517 170.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.44 -44.31 80.33 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.757 1.223 . . . . 0.0 111.601 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.87 78.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.137 1.375 . . . . 0.0 113.093 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.46 -33.38 58.73 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.522 0.729 . . . . 0.0 112.619 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -35.88 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.493 -0.755 . . . . 0.0 110.564 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -72.26 52.63 0.27 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.819 1.248 . . . . 0.0 111.339 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -52.44 -28.0 18.3 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.86 -35.8 58.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.946 1.248 . . . . 0.0 112.694 170.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -22.17 66.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.796 1.238 . . . . 0.0 113.107 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -100.71 12.47 37.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.286 1.834 . . . . 0.0 112.062 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -127.21 -42.87 1.67 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.113 1.365 . . . . 0.0 112.924 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 C-N-CA 126.695 2.093 . . . . 0.0 112.074 177.327 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 110.804 -0.073 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.58 -26.54 55.17 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -169.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -48.49 -40.9 42.96 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -169.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.14 -42.58 34.87 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.492 2.128 . . . . 0.0 113.184 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 11.4 tp -80.25 -39.2 29.42 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.348 0.522 . . . . 0.0 111.658 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -33.99 77.29 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.553 1.141 . . . . 0.0 112.23 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.99 -24.95 58.5 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.774 0.716 . . . . 0.0 112.419 171.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.86 30.68 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.902 1.228 . . . . 0.0 111.93 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.5 pt -64.89 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.418 1.008 . . . . 0.0 110.064 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -22.77 66.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.49 1.519 . . . . 0.0 114.004 170.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -51.19 18.63 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.155 1.477 . . . . 0.0 109.647 172.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.34 -43.91 83.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.954 0.901 . . . . 0.0 111.01 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.41 -42.57 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 118.249 0.477 . . . . 0.0 111.097 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -38.35 94.2 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.005 0.821 . . . . 0.0 112.834 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 33.0 mt -67.0 -36.04 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.241 1.017 . . . . 0.0 111.744 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.97 -51.66 13.1 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.955 0.902 . . . . 0.0 112.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -25.38 60.76 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -169.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -64.57 -33.15 75.24 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.862 -0.524 . . . . 0.0 112.276 171.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -82.52 -41.99 18.97 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.7 p -66.49 -11.48 52.54 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 -3.26 78.86 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.301 0.953 . . . . 0.0 114.972 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -74.75 -52.52 11.31 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.222 1.511 . . . . 0.0 112.691 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -124.78 -40.57 2.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.215 1.406 . . . . 0.0 111.7 -169.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -153.2 26.33 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.504 1.526 . . . . 0.0 113.564 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -165.24 164.52 20.02 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.38 1.872 . . . . 0.0 111.832 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 83.3 tttt 57.92 -101.64 0.13 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.803 1.641 . . . . 0.0 112.528 175.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.418 ' CD2' HD22 ' B' ' 69' ' ' ASN . 0.3 OUTLIER -133.1 25.47 4.23 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.793 1.637 . . . . 0.0 114.441 -169.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.4 p -127.89 151.53 48.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.609 1.164 . . . . 0.0 112.402 176.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.49 137.59 49.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.339 1.856 . . . . 0.0 109.87 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -78.41 166.13 22.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.349 -0.844 . . . . 0.0 111.058 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.93 -51.65 68.77 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.048 -1.658 . . . . 0.0 113.682 -170.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -72.77 -30.11 63.85 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.575 -0.703 . . . . 0.0 112.155 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.28 -42.41 93.2 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.289 1.436 . . . . 0.0 110.909 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.02 -46.15 85.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.39 1.076 . . . . 0.0 111.175 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.39 -37.8 76.03 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.28 -0.888 . . . . 0.0 111.797 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -66.47 -41.6 88.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.239 1.016 . . . . 0.0 111.696 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -55.57 -55.81 27.66 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.292 1.037 . . . . 0.0 110.109 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.06 -40.45 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.808 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -76.01 -12.68 60.18 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.817 1.644 . . . . 0.0 114.047 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.12 -41.55 15.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.607 1.094 . . . . 0.0 112.216 169.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.36 -56.15 4.54 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.139 0.427 . . . . 0.0 111.219 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.83 74.41 5.71 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.364 1.466 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.2 p -76.82 71.09 3.34 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.179 1.791 . . . . 0.0 110.329 174.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.09 134.6 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.899 1.28 . . . . 0.0 111.323 -175.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.65 -2.93 84.25 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 117.363 1.705 . . . . 0.0 117.363 -169.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 79.5 p -163.98 172.7 13.55 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.863 1.831 . . . . 0.0 113.586 -171.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt 72.79 174.3 0.29 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 127.6 2.36 . . . . 0.0 113.655 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 34.7 tp -82.33 54.25 2.52 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.849 1.66 . . . . 0.0 108.104 168.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -24.52 67.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.737 1.615 . . . . 0.0 114.615 -169.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -54.82 -39.42 68.5 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.672 1.124 . . . . 0.0 112.658 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.08 69.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.626 1.17 . . . . 0.0 112.877 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.31 -37.43 28.39 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.742 1.217 . . . . 0.0 111.078 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.81 -43.94 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.877 0.871 . . . . 0.0 111.731 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.83 -27.29 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.664 1.12 . . . . 0.0 112.435 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -72.1 -40.23 68.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.079 0.854 . . . . 0.0 111.951 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.65 -39.73 94.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.279 0.632 . . . . 0.0 111.435 174.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.54 -41.47 80.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.852 0.861 . . . . 0.0 110.583 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 -28.56 69.98 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -77.4 -25.84 51.18 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.624 1.102 . . . . 0.0 112.92 173.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -80.59 -39.87 26.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.868 1.667 . . . . 0.0 111.69 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.36 -7.26 29.69 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.257 2.223 . . . . 0.0 113.336 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -53.83 -21.94 8.61 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 169.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -61.81 -43.99 97.74 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -166.36 149.33 7.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.857 1.663 . . . . 0.0 111.561 -171.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -55.02 -24.97 27.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.9 2.08 . . . . 0.0 116.112 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -120.36 -19.53 7.58 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -170.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -160.74 155.86 24.45 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.434 1.015 . . . . 0.0 113.119 -169.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 65.1 t -99.75 119.8 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.701 2.0 . . . . 0.0 109.022 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.418 HD22 ' CD2' ' B' ' 27' ' ' HIS . 28.0 t-20 -81.26 149.21 29.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -49.34 -44.89 44.89 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.986 1.714 . . . . 0.0 114.378 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.83 -35.29 78.34 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.41 -38.31 77.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.941 0.496 . . . . 0.0 111.455 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.16 -43.69 95.58 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.306 -0.871 . . . . 0.0 111.894 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.47 -47.79 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.225 -0.922 . . . . 0.0 111.03 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -59.69 -44.16 93.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.438 1.095 . . . . 0.0 111.551 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -65.93 -40.22 91.2 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.836 1.255 . . . . 0.0 111.746 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.14 -26.54 68.58 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 112.178 171.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.56 94.57 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-N 118.939 0.79 . . . . 0.0 112.092 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.36 87.45 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.051 0.925 . . . . 0.0 111.815 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -57.19 -46.97 82.37 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.602 1.161 . . . . 0.0 110.712 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.95 89.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.555 1.542 . . . . 0.0 111.874 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -69.48 -29.66 67.36 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.34 -0.85 . . . . 0.0 113.175 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.31 -25.74 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.883 1.273 . . . . 0.0 113.729 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -56.24 -38.64 71.36 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.301 0.955 . . . . 0.0 110.677 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.05 -46.43 0.28 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.849 3.259 . . . . 0.0 116.272 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -58.71 -37.7 76.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.933 1.293 . . . . 0.0 111.047 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.55 -19.18 64.58 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.03 6.71 41.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.304 1.842 . . . . 0.0 112.539 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -122.92 -32.22 3.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.208 1.403 . . . . 0.0 113.201 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.306 0 C-N-CA 125.547 1.546 . . . . 0.0 113.092 178.863 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.485 0.183 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.2 -26.46 60.28 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.179 0.992 . . . . 0.0 112.148 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 76.08 -27.83 1.42 Allowed Glycine 0 N--CA 1.474 1.185 0 C-N-CA 125.571 1.558 . . . . 0.0 115.599 171.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.23 -65.75 0.51 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.389 1.875 . . . . 0.0 111.453 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -28.53 13.49 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.242 1.817 . . . . 0.0 114.106 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -74.64 -14.43 60.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.61 -35.92 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.85 1.26 . . . . 0.0 109.328 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.37 -36.43 79.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.775 2.03 . . . . 0.0 111.624 172.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -52.22 -39.42 60.2 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.375 1.07 . . . . 0.0 111.771 173.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -58.02 -24.99 60.53 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -84.3 -36.62 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.998 1.319 . . . . 0.0 111.753 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -67.35 -35.95 80.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.103 -0.998 . . . . 0.0 111.232 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.0 -1.15 11.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 113.998 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -106.6 -32.3 8.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.719 1.208 . . . . 0.0 113.732 173.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -157.89 149.24 19.58 Favored Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.908 1.123 . . . . 0.0 115.908 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.99 103.81 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 129.067 2.947 . . . . 0.0 108.179 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -149.32 -47.13 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -89.17 -32.78 17.3 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.421 1.01 . . . . 0.0 112.887 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.5 ttm -51.1 -54.82 21.49 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.152 0.581 . . . . 0.0 110.79 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -58.94 -27.24 65.13 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.65 -42.3 51.74 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.101 0.864 . . . . 0.0 111.283 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 17.9 m -65.35 -38.1 89.07 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.198 0.999 . . . . 0.0 112.568 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 18.1 mm -59.27 -45.76 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.331 0.968 . . . . 0.0 110.947 173.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -61.89 -45.87 91.84 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.073 -0.392 . . . . 0.0 111.709 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.44 -44.39 89.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.096 0.862 . . . . 0.0 112.83 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.72 -34.41 78.26 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -74.68 -38.1 62.49 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.164 0.438 . . . . 0.0 112.079 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 35.9 t -57.82 -32.58 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.576 1.15 . . . . 0.0 111.984 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.92 -24.39 66.82 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.637 1.175 . . . . 0.0 112.995 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 58.7 m -100.55 -8.65 22.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.493 1.117 . . . . 0.0 114.008 173.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.132 0 C-N-CA 125.355 1.462 . . . . 0.0 113.126 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -117.89 149.0 41.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.632 1.173 . . . . 0.0 111.282 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -115.71 -7.64 15.3 Favored Glycine 0 N--CA 1.474 1.172 0 C-N-CA 125.072 1.32 . . . . 0.0 115.447 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -67.24 0.46 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.144 1.472 . . . . 0.0 111.246 -173.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -25.64 20.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.681 1.193 . . . . 0.0 113.57 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -65.72 -19.38 65.88 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 90.9 t -99.26 -36.86 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.043 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.43 -31.32 57.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.887 1.675 . . . . 0.0 111.87 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -63.49 -26.03 68.53 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.686 -1.259 . . . . 0.0 113.036 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -56.75 -30.87 64.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.576 1.151 . . . . 0.0 111.953 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 54.1 mt -87.11 -42.66 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.082 1.753 . . . . 0.0 110.161 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.89 -38.23 72.51 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.31 -0.869 . . . . 0.0 112.907 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -73.7 -3.11 26.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.151 1.38 . . . . 0.0 114.053 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -104.94 -42.58 5.3 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.609 1.564 . . . . 0.0 110.822 169.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.82 -166.27 54.84 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.761 1.648 . . . . 0.0 115.718 169.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.23 147.46 20.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.896 1.678 . . . . 0.0 111.577 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.59 -33.32 25.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.79 -21.38 20.71 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 49.2 tpp -45.53 -60.86 1.95 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.56 1.544 . . . . 0.0 110.824 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -60.79 -34.41 74.46 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.783 1.233 . . . . 0.0 112.823 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -74.06 -45.29 50.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.51 0.724 . . . . 0.0 111.737 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.6 m -72.38 -35.26 68.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.73 0.812 . . . . 0.0 112.581 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.5 mt -58.13 -44.27 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.439 0.696 . . . . 0.0 110.531 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.49 -47.64 72.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.452 0.701 . . . . 0.0 112.138 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.761 -1.212 . . . . 0.0 112.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.63 -31.35 71.44 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -73.33 -46.82 47.14 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.955 0.902 . . . . 0.0 110.983 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.06 -45.4 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 125.064 1.346 . . . . 0.0 111.865 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.09 -8.86 52.91 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.58 1.552 . . . . 0.0 113.535 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 23.1 m -107.53 -6.07 17.21 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.982 1.313 . . . . 0.0 113.718 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.393 1.477 . . . . 0.0 113.199 -176.36 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.553 -0.165 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.22 14.55 0.3 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -172.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -55.65 -36.87 50.67 Favored Pre-proline 0 CA--C 1.552 1.03 0 O-C-N 119.868 -1.77 . . . . 0.0 114.42 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -70.38 -32.41 16.04 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.246 2.63 . . . . 0.0 113.204 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.2 -42.81 59.21 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -54.22 -43.64 70.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.396 1.479 . . . . 0.0 112.067 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.88 -16.57 60.03 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -50.41 9.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.558 1.072 . . . . 0.0 112.546 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 pt -61.85 -32.86 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.371 0.987 . . . . 0.0 111.083 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.53 76.21 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.861 1.22 . . . . 0.0 114.078 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -48.76 51.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.158 1.479 . . . . 0.0 110.045 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.36 -40.63 91.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.533 0.733 . . . . 0.0 111.241 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -68.04 -43.49 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.178 0.899 . . . . 0.0 110.907 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.42 -35.04 91.46 Favored Glycine 0 N--CA 1.468 0.776 0 C-N-CA 124.392 0.996 . . . . 0.0 113.15 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.13 -52.07 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.462 1.105 . . . . 0.0 110.835 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.58 -45.27 87.71 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -69.42 -22.96 63.64 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -53.95 -45.94 71.45 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.168 -0.958 . . . . 0.0 110.967 169.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.7 -31.76 28.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.734 1.613 . . . . 0.0 114.112 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -79.35 -42.4 25.71 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.98 -1.075 . . . . 0.0 111.92 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.78 -14.46 58.3 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.92 1.248 . . . . 0.0 114.14 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -61.37 -34.55 75.5 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.923 1.289 . . . . 0.0 111.495 169.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -94.63 -42.0 9.01 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.023 1.329 . . . . 0.0 111.297 171.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.51 1.22 90.45 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.894 1.235 . . . . 0.0 115.367 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -74.36 -39.27 62.87 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.509 1.155 . . . . 0.0 113.572 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -169.89 178.91 3.82 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.582 1.553 . . . . 0.0 112.445 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.495 ' CE1' HD22 ' A' ' 69' ' ' ASN . 3.0 p-80 -76.05 55.66 0.94 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.066 1.747 . . . . 0.0 113.526 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 t -146.52 154.44 41.55 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.4 1.48 . . . . 0.0 111.983 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.2 mt -123.18 147.91 46.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.27 1.828 . . . . 0.0 110.205 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 p -79.35 165.38 23.19 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 109.187 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -56.26 -41.57 76.03 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.38 -1.45 . . . . 0.0 112.617 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.74 -36.69 73.28 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.137 -0.977 . . . . 0.0 112.467 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.83 -35.17 76.65 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.876 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.37 -44.78 96.58 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.63 0.772 . . . . 0.0 110.485 169.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.04 -37.98 81.4 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.008 -1.058 . . . . 0.0 111.86 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.52 -42.95 99.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.941 0.896 . . . . 0.0 112.099 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.69 -55.03 40.14 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.126 0.97 . . . . 0.0 111.082 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.31 -43.92 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.031 0.832 . . . . 0.0 111.934 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -67.26 -26.57 66.63 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.79 -55.78 3.56 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.84 -15.1 35.35 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.094 1.758 . . . . 0.0 115.0 -168.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.91 46.98 2.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.063 1.345 . . . . 0.0 110.075 -175.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.9 p -62.15 119.03 8.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.813 1.645 . . . . 0.0 111.693 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 pt -88.91 0.8 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.334 1.454 . . . . 0.0 113.57 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.74 -157.03 33.74 Favored Glycine 0 N--CA 1.472 1.08 0 C-N-CA 125.335 1.445 . . . . 0.0 111.696 -173.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.8 p -84.8 6.98 22.34 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -63.54 119.26 9.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.123 0.969 . . . . 0.0 111.188 169.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.1 tp -75.93 106.76 7.69 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.087 0.955 . . . . 0.0 110.965 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -130.95 10.82 5.05 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.93 1.292 . . . . 0.0 112.182 174.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.19 -41.26 60.11 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.955 1.252 . . . . 0.0 114.178 -169.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.87 69.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.949 0.899 . . . . 0.0 113.39 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -81.54 -33.83 31.5 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.434 1.094 . . . . 0.0 111.671 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.39 -41.74 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.306 -0.871 . . . . 0.0 111.034 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.71 -25.05 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.074 1.307 . . . . 0.0 112.896 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -76.87 -36.53 56.7 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.105 -0.997 . . . . 0.0 112.52 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.05 -41.27 95.33 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.548 1.139 . . . . 0.0 111.441 170.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 ttp -58.6 -43.59 89.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.651 1.181 . . . . 0.0 110.933 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.56 -35.07 79.8 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.081 0.952 . . . . 0.0 113.02 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.81 -24.07 60.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.52 -46.92 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.334 1.454 . . . . 0.0 110.572 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.01 -17.32 63.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.021 2.128 . . . . 0.0 114.301 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.33 -14.73 3.12 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.395 1.078 . . . . 0.0 113.572 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.91 -35.37 45.25 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.697 1.599 . . . . 0.0 113.59 169.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -147.44 -22.74 0.38 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 79.37 18.68 0.77 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.859 2.463 . . . . 0.0 111.794 -170.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -158.1 -33.44 0.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.301 1.841 . . . . 0.0 112.522 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -142.29 155.1 45.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.005 1.322 . . . . 0.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -120.06 121.39 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.31 1.844 . . . . 0.0 110.453 170.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.495 HD22 ' CE1' ' A' ' 27' ' ' HIS . 26.9 t-20 -79.78 154.69 28.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.375 1.07 . . . . 0.0 112.175 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -47.52 -41.92 22.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.065 1.346 . . . . 0.0 114.606 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -59.61 -45.68 91.19 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.47 -0.769 . . . . 0.0 111.539 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -73.65 -29.73 62.51 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.283 0.633 . . . . 0.0 112.211 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -62.35 -46.5 88.41 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.283 -0.886 . . . . 0.0 111.95 171.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.64 -43.17 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.016 0.825 . . . . 0.0 110.826 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.0 m -60.12 -44.81 94.62 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.442 1.097 . . . . 0.0 111.188 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -62.83 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.089 0.956 . . . . 0.0 112.326 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.29 -25.64 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.021 0.828 . . . . 0.0 111.969 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.18 -42.3 84.13 Favored Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.05 0.833 . . . . 0.0 112.496 169.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.16 -33.55 75.66 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.315 0.646 . . . . 0.0 112.538 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -69.98 -40.53 75.31 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.121 0.968 . . . . 0.0 111.213 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.5 81.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.673 -0.642 . . . . 0.0 111.255 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.7 ttt -69.56 -37.07 76.86 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.974 0.91 . . . . 0.0 113.161 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -63.64 -30.68 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.05 1.295 . . . . 0.0 112.148 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -74.4 50.39 0.41 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.613 1.165 . . . . 0.0 111.51 169.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -49.42 -29.4 6.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.461 2.305 . . . . 0.0 115.282 -171.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -53.28 -36.92 61.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 113.011 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.64 -20.76 64.48 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.485 1.114 . . . . 0.0 113.546 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.11 1.95 50.6 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.677 1.991 . . . . 0.0 111.613 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -115.5 -47.5 2.82 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.72 1.608 . . . . 0.0 112.138 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.789 2.138 . . . . 0.0 111.683 178.892 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 119.159 -0.448 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.31 40.04 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 p -57.17 -32.72 14.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.79 -36.99 81.66 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.806 2.337 . . . . 0.0 113.389 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 30.4 tp -79.67 -39.5 31.22 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.405 0.548 . . . . 0.0 111.438 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.66 -43.91 76.74 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.238 1.015 . . . . 0.0 112.211 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -70.31 -22.68 62.8 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -47.46 13.99 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.431 1.014 . . . . 0.0 112.195 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -63.76 -32.97 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.391 0.996 . . . . 0.0 110.928 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.07 72.31 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 125.075 1.321 . . . . 0.0 113.705 170.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -52.98 48.05 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.908 1.354 . . . . 0.0 111.071 170.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.46 -39.58 84.12 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.447 0.699 . . . . 0.0 111.596 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.85 -48.9 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.729 0.695 . . . . 0.0 111.099 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.55 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.383 0.992 . . . . 0.0 113.434 -174.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.6 mt -72.14 -54.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 169.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.85 -43.13 99.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.824 0.738 . . . . 0.0 112.71 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.1 -18.0 60.86 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -59.92 -44.13 94.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.703 0.801 . . . . 0.0 110.877 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -80.6 -30.88 36.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.516 1.126 . . . . 0.0 113.155 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -70.73 -41.16 72.23 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.19 0.904 . . . . 0.0 112.774 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.11 -14.73 61.89 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 124.7 1.143 . . . . 0.0 113.977 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.89 -31.93 73.29 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.853 1.261 . . . . 0.0 112.008 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -93.67 -45.8 7.54 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.684 1.194 . . . . 0.0 110.627 170.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.08 -8.95 56.26 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.499 1.524 . . . . 0.0 116.181 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.62 -30.16 62.8 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.697 1.199 . . . . 0.0 113.613 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -171.79 169.89 5.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.838 2.055 . . . . 0.0 112.188 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 53.55 0.61 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.505 1.922 . . . . 0.0 113.314 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.16 148.54 52.48 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.43 1.492 . . . . 0.0 110.151 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.9 mt -112.67 145.15 40.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.634 1.573 . . . . 0.0 108.706 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -79.14 168.88 18.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.137 -0.977 . . . . 0.0 109.205 169.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -57.21 -38.39 73.65 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.403 -1.435 . . . . 0.0 111.809 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -75.29 -34.52 61.31 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -72.62 -33.54 66.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.86 1.209 . . . . 0.0 111.646 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.81 -48.07 82.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.508 0.723 . . . . 0.0 109.97 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -56.9 -26.74 59.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 117.808 -1.091 . . . . 0.0 113.45 171.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.62 -47.38 69.78 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.995 1.725 . . . . 0.0 110.595 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.76 -58.34 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.258 1.023 . . . . 0.0 111.461 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.2 pt -72.73 -19.77 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -171.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -79.84 -29.48 40.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 120.852 1.66 . . . . 0.0 112.258 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -86.06 -47.24 9.73 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.598 1.09 . . . . 0.0 113.671 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -55.92 4.05 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.376 0.671 . . . . 0.0 110.529 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 72.7 mt -89.85 39.39 0.96 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.296 0.953 . . . . 0.0 111.051 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.7 t -55.5 137.17 49.11 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.131 1.773 . . . . 0.0 112.985 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 pp -116.75 11.53 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 127.238 2.215 . . . . 0.0 112.133 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.09 -151.02 51.63 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.945 1.26 . . . . 0.0 114.276 173.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -77.78 -4.07 44.57 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.745 1.218 . . . . 0.0 114.243 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -63.83 149.83 46.1 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.379 1.071 . . . . 0.0 112.363 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -75.52 45.2 0.3 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.447 1.499 . . . . 0.0 112.973 174.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -86.91 1.11 53.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.729 1.612 . . . . 0.0 112.047 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.38 -31.57 63.96 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.126 1.37 . . . . 0.0 113.205 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.89 69.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.941 0.896 . . . . 0.0 113.092 174.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -81.67 -38.68 25.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.116 0.966 . . . . 0.0 111.064 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mm -60.72 -43.93 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.961 0.904 . . . . 0.0 111.56 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.68 -29.86 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.96 -37.06 55.97 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.279 -0.888 . . . . 0.0 111.95 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.17 -43.74 98.16 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.204 0.911 . . . . 0.0 111.895 170.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 33.5 ttp -56.67 -44.9 81.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.02 1.328 . . . . 0.0 111.975 172.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.54 -37.02 73.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.744 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -65.96 -32.0 73.23 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.966 1.307 . . . . 0.0 112.358 173.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -67.58 -48.24 67.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.552 1.541 . . . . 0.0 110.804 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.2 -25.37 67.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 114.141 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -54.22 -27.61 35.6 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.961 1.255 . . . . 0.0 113.627 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -80.6 -14.53 58.12 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.864 0.866 . . . . 0.0 113.288 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -132.05 -142.98 0.22 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.488 2.315 . . . . 0.0 109.147 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.83 101.93 1.65 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.229 1.411 . . . . 0.0 111.172 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 75.38 12.04 3.29 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.965 2.506 . . . . 0.0 112.611 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.59 157.84 30.55 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.401 1.88 . . . . 0.0 109.903 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.0 t -119.76 102.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.2 1.8 . . . . 0.0 107.734 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -85.3 156.49 20.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.789 0.836 . . . . 0.0 112.177 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -55.19 -41.91 72.56 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -169.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.06 -44.74 96.03 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.78 -0.575 . . . . 0.0 110.584 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -73.76 -30.88 63.04 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.076 0.951 . . . . 0.0 112.235 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.65 -47.41 84.53 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.556 0.742 . . . . 0.0 111.394 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 mt -72.16 -34.54 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 O-C-N 121.172 -0.955 . . . . 0.0 112.125 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 63.5 m -55.46 -44.93 76.89 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.994 0.816 . . . . 0.0 110.873 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.32 -36.46 79.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.895 0.878 . . . . 0.0 113.072 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.17 -19.82 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.328 0.967 . . . . 0.0 112.479 171.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.72 86.42 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 119.494 1.043 . . . . 0.0 111.731 169.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.63 75.56 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.356 1.078 . . . . 0.0 112.531 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.01 -43.63 87.12 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.619 0.768 . . . . 0.0 110.761 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -34.42 75.61 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.624 1.17 . . . . 0.0 112.428 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.5 mtp -68.35 -19.11 64.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -70.81 -28.97 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.856 1.207 . . . . 0.0 111.843 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -78.33 46.03 0.6 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.066 1.346 . . . . 0.0 109.636 168.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.24 -28.4 27.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -168.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -58.97 -34.34 71.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.154 -0.966 . . . . 0.0 112.512 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.25 -15.16 62.88 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.984 1.314 . . . . 0.0 113.624 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.4 mt -102.95 -17.16 15.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.391 1.476 . . . . 0.0 112.929 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -84.94 -44.22 13.33 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.816 1.247 . . . . 0.0 112.198 173.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.4 0 C-N-CA 125.453 1.501 . . . . 0.0 113.915 -177.343 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 41.6 p . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -72.41 143.79 48.4 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.558 1.143 . . . . 0.0 112.29 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -80.68 46.63 3.34 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.127 1.346 . . . . 0.0 111.837 171.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.1 -43.57 66.94 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.713 1.605 . . . . 0.0 113.492 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -54.55 -29.09 49.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.171 1.388 . . . . 0.0 113.749 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -68.54 -22.28 64.51 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.3 t -95.85 -40.43 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.581 1.552 . . . . 0.0 108.742 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -57.88 -45.35 86.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.833 1.253 . . . . 0.0 110.28 169.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.89 -38.42 82.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.357 0.663 . . . . 0.0 112.371 174.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -66.54 -12.66 58.74 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 36.1 mm -96.22 -47.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.249 0.931 . . . . 0.0 110.085 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.24 -46.8 35.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.162 1.385 . . . . 0.0 113.842 174.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.66 -1.72 17.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -172.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.95 -20.99 60.19 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.067 0.947 . . . . 0.0 112.911 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 155.23 15.43 0.05 OUTLIER Glycine 0 CA--C 1.535 1.331 0 N-CA-C 118.124 2.01 . . . . 0.0 118.124 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -74.6 130.4 39.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.632 2.216 . . . . 0.0 111.557 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -167.53 -26.01 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.069 1.347 . . . . 0.0 113.916 -169.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.87 -18.24 21.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.805 1.642 . . . . 0.0 114.946 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 58.9 tpp -42.83 -42.86 3.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.302 2.241 . . . . 0.0 113.143 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -50.02 -36.36 28.4 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.578 1.551 . . . . 0.0 113.87 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.95 -41.84 58.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.011 0.924 . . . . 0.0 112.029 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 88.7 m -66.75 -44.5 81.33 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.045 0.938 . . . . 0.0 110.735 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.69 -50.18 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.836 0.855 . . . . 0.0 111.056 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -53.05 -43.44 66.66 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.719 0.69 . . . . 0.0 112.3 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -25.61 68.39 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -89.12 -34.33 16.76 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.486 -0.759 . . . . 0.0 112.49 170.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -86.38 -21.74 27.0 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -170.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 12.4 p -50.98 -35.52 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 125.389 1.475 . . . . 0.0 112.987 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.5 -24.3 67.4 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.016 1.727 . . . . 0.0 113.119 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 13.1 t -81.02 122.68 27.6 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.304 -0.872 . . . . 0.0 111.303 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 . . . . . 0 C--O 1.251 1.137 0 C-N-CA 126.385 1.874 . . . . 0.0 111.558 -169.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.357 0.122 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.69 143.98 49.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.265 1.426 . . . . 0.0 111.665 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -131.6 3.02 5.37 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 116.357 1.303 . . . . 0.0 116.357 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.57 -40.61 83.61 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.332 1.566 . . . . 0.0 113.134 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.59 -23.98 44.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.353 1.461 . . . . 0.0 113.429 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -74.23 -17.56 60.87 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 119.632 1.106 . . . . 0.0 113.941 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.07 -39.37 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.229 1.412 . . . . 0.0 109.637 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.65 -34.23 77.8 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.048 1.339 . . . . 0.0 111.477 170.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.17 -29.64 63.83 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.501 1.12 . . . . 0.0 112.508 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -63.83 -24.25 67.68 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.732 -1.23 . . . . 0.0 113.121 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 40.1 mm -86.22 -37.61 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.901 1.28 . . . . 0.0 111.247 174.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.35 -44.42 88.78 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.151 -0.968 . . . . 0.0 112.076 169.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -78.74 -1.08 32.88 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.807 1.643 . . . . 0.0 113.787 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.93 -18.76 53.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.939 0.896 . . . . 0.0 112.323 171.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.23 144.43 7.1 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.263 1.411 . . . . 0.0 113.628 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -159.48 154.14 24.38 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.655 1.582 . . . . 0.0 112.527 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.55 -7.3 3.26 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.739 1.616 . . . . 0.0 113.298 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -71.14 -38.39 72.24 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.662 1.119 . . . . 0.0 113.217 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.0 mmt -55.01 -47.08 75.17 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.222 0.919 . . . . 0.0 111.073 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -58.36 -22.99 55.56 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.983 -1.073 . . . . 0.0 113.529 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -99.62 -27.74 13.53 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.044 1.338 . . . . 0.0 113.335 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 35.5 p -87.9 -40.72 13.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.143 1.338 . . . . 0.0 112.733 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 26.5 mm -57.99 -40.91 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.552 1.141 . . . . 0.0 111.819 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -57.57 -50.75 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.383 0.673 . . . . 0.0 111.811 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.64 -49.47 66.1 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.197 0.599 . . . . 0.0 111.762 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -52.65 -42.18 64.46 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.395 1.078 . . . . 0.0 112.505 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -68.92 -38.92 79.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.163 0.438 . . . . 0.0 111.724 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -36.4 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -176.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.08 -37.42 61.57 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.482 1.513 . . . . 0.0 112.401 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 4.6 m -96.87 21.06 10.09 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.544 1.137 . . . . 0.0 112.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 47.8 tpt85 . . . . . 0 C--O 1.254 1.292 0 CA-C-O 116.608 -1.663 . . . . 0.0 114.001 -173.061 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.06 -29.87 60.84 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -55.78 -41.2 89.67 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.54 -35.85 88.45 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.324 2.683 . . . . 0.0 113.817 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.5 tp -75.84 -40.74 54.2 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.841 0.746 . . . . 0.0 110.67 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -57.08 -41.48 78.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.541 1.137 . . . . 0.0 111.925 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -72.04 -20.81 61.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -46.47 14.21 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.192 1.36 . . . . 0.0 112.632 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 pt -66.63 -31.29 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.09 -1.006 . . . . 0.0 111.293 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -27.84 73.04 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.196 0.903 . . . . 0.0 112.663 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -52.55 33.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.916 1.286 . . . . 0.0 110.122 174.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.61 -38.93 75.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.593 1.957 . . . . 0.0 112.042 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.43 -51.49 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 118.862 0.755 . . . . 0.0 110.787 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -31.92 77.25 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.993 0.806 . . . . 0.0 113.886 -173.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.42 -38.66 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 118.022 -0.989 . . . . 0.0 111.492 173.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -79.97 -52.52 7.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.023 1.283 . . . . 0.0 112.36 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -69.41 -23.19 63.68 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -58.33 -44.48 88.68 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.299 -0.876 . . . . 0.0 112.039 170.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -81.96 -26.98 33.5 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -67.87 -41.5 82.72 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.612 -1.305 . . . . 0.0 110.802 170.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.49 -26.79 71.99 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.997 0.808 . . . . 0.0 113.323 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -67.73 -27.3 66.68 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.591 1.196 . . . . 0.0 112.691 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -87.84 -19.06 27.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.517 1.127 . . . . 0.0 112.815 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.56 16.39 60.28 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.256 1.408 . . . . 0.0 113.254 -173.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.3 176.65 5.45 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.668 1.587 . . . . 0.0 111.814 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -92.28 -94.65 0.14 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.284 1.434 . . . . 0.0 112.274 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -113.0 20.28 16.5 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.157 1.383 . . . . 0.0 114.136 -169.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -130.24 151.36 50.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.551 1.941 . . . . 0.0 110.593 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -112.35 148.2 34.76 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.395 1.878 . . . . 0.0 108.997 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -78.33 153.59 31.58 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.049 -1.032 . . . . 0.0 108.726 168.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -53.92 -37.06 63.41 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.324 -1.485 . . . . 0.0 113.227 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -31.62 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.222 -0.924 . . . . 0.0 113.352 173.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -76.44 -30.46 57.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.594 0.758 . . . . 0.0 111.898 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.37 -44.71 96.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -60.75 -39.93 90.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.906 -1.121 . . . . 0.0 112.37 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.54 -47.8 84.13 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.526 -0.75 . . . . 0.0 111.546 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.12 -47.41 71.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.527 1.058 . . . . 0.0 111.198 174.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.98 -52.97 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.02 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.62 -23.98 58.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.099 1.318 . . . . 0.0 113.234 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.5 -41.13 15.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.575 1.08 . . . . 0.0 112.961 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.83 -52.72 5.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.129 0.877 . . . . 0.0 111.707 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.34 -48.69 8.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.246 0.618 . . . . 0.0 110.366 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m 67.28 87.69 0.12 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.844 2.458 . . . . 0.0 111.857 169.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 pp -94.48 -8.86 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.58 -153.44 42.52 Favored Glycine 0 C--N 1.34 0.771 0 C-N-CA 125.492 1.52 . . . . 0.0 113.731 169.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -84.84 16.86 3.08 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -57.26 152.49 13.84 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.461 -0.774 . . . . 0.0 111.933 169.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.94 -20.18 56.03 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.247 1.019 . . . . 0.0 112.488 172.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -59.64 -13.47 9.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.389 1.475 . . . . 0.0 114.059 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.06 -29.77 67.56 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.965 1.711 . . . . 0.0 112.243 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.6 -25.85 66.81 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.499 1.12 . . . . 0.0 113.219 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -81.65 -35.97 29.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 110.396 171.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.8 mm -62.14 -41.95 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.062 -0.971 . . . . 0.0 111.797 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.62 -26.42 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.382 1.446 . . . . 0.0 112.848 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -75.82 -37.49 59.04 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.514 1.052 . . . . 0.0 112.125 170.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.33 -38.01 89.47 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.217 -0.927 . . . . 0.0 111.732 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttp -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.602 1.161 . . . . 0.0 110.713 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.16 -39.61 93.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.778 0.831 . . . . 0.0 112.767 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -69.2 -23.91 63.97 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.22 -44.66 19.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.246 1.418 . . . . 0.0 111.716 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.25 -35.51 73.85 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.056 1.742 . . . . 0.0 114.084 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -71.77 -6.04 38.56 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -74.21 -15.11 61.01 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.367 1.067 . . . . 0.0 112.937 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -128.09 -95.25 0.42 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.16 1.784 . . . . 0.0 111.368 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -168.86 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.832 1.653 . . . . 0.0 113.178 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.6 16.54 1.13 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.896 1.278 . . . . 0.0 111.83 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -143.59 159.0 43.24 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.185 1.794 . . . . 0.0 111.193 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.11 114.05 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 108.737 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -83.76 151.03 25.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.82 1.248 . . . . 0.0 112.31 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.98 -45.13 79.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -73.12 -34.89 66.4 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.289 -0.882 . . . . 0.0 111.286 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.24 -37.83 78.17 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.826 0.85 . . . . 0.0 111.413 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.21 -47.92 83.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.531 1.532 . . . . 0.0 111.169 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.2 mt -67.98 -37.37 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.181 -0.949 . . . . 0.0 112.141 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 m -59.05 -44.26 91.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.177 0.899 . . . . 0.0 111.084 172.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.68 -37.8 87.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.821 0.848 . . . . 0.0 112.559 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.06 -29.72 70.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.819 1.19 . . . . 0.0 111.949 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.68 93.91 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.148 0.88 . . . . 0.0 112.384 169.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.41 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.071 0.935 . . . . 0.0 111.86 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 tp -51.78 -46.96 64.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.969 1.707 . . . . 0.0 110.608 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.96 79.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.05 1.34 . . . . 0.0 112.797 177.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -73.99 -23.06 59.4 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.298 1.408 . . . . 0.0 114.622 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.25 -30.57 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.516 0.726 . . . . 0.0 110.508 170.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -75.88 46.09 0.37 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 111.131 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.82 -29.17 4.29 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 118.42 2.748 . . . . 0.0 118.42 -168.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.15 -35.02 72.77 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.621 1.1 . . . . 0.0 112.082 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.89 89.01 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.207 1.403 . . . . 0.0 112.682 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.65 -41.93 52.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.974 1.31 . . . . 0.0 110.91 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.49 -37.0 86.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.523 1.129 . . . . 0.0 112.927 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 C-N-CA 125.942 1.734 . . . . 0.0 113.149 176.422 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.59 57.25 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -49.3 -32.53 4.8 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -172.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -69.26 -38.46 8.85 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.05 2.5 . . . . 0.0 113.943 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 tp -81.48 -37.07 28.53 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.736 1.153 . . . . 0.0 111.56 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.85 -40.79 76.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.972 1.709 . . . . 0.0 112.29 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.04 -35.87 81.7 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 172.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.48 64.31 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.633 1.106 . . . . 0.0 112.853 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 pt -68.35 -24.17 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.975 -0.453 . . . . 0.0 111.589 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.46 -39.22 61.6 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.596 1.094 . . . . 0.0 113.177 170.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -51.84 65.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.05 1.34 . . . . 0.0 111.187 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 mt -53.31 -43.79 67.85 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.021 1.728 . . . . 0.0 112.761 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.82 -45.28 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.954 0.901 . . . . 0.0 111.019 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.54 -27.78 73.06 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 124.85 1.214 . . . . 0.0 113.847 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.2 mt -75.3 -49.49 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 118.597 1.199 . . . . 0.0 111.23 170.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -64.59 -52.61 56.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.304 0.957 . . . . 0.0 112.204 -174.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -75.27 -11.98 60.18 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -172.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.61 -42.51 88.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.575 0.75 . . . . 0.0 111.019 169.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -81.53 -28.8 33.79 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.766 1.227 . . . . 0.0 113.26 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -66.48 -44.75 81.8 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.977 -1.077 . . . . 0.0 111.237 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 -3.93 38.16 Favored Glycine 0 N--CA 1.473 1.146 0 C-N-CA 125.46 1.505 . . . . 0.0 114.852 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.19 -30.55 70.48 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.442 1.097 . . . . 0.0 111.787 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.09 -4.08 3.94 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.7 23.56 27.97 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.76 1.172 . . . . 0.0 113.717 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -69.76 168.46 14.98 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.21 1.404 . . . . 0.0 111.987 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -101.69 -141.16 0.35 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.431 1.092 . . . . 0.0 112.727 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -78.43 14.48 1.23 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.892 1.677 . . . . 0.0 115.135 -170.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -128.22 149.76 50.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.08 2.152 . . . . 0.0 110.948 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -120.43 137.53 54.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.822 1.249 . . . . 0.0 110.266 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.2 p -78.09 155.33 30.62 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.513 -0.742 . . . . 0.0 110.172 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -57.59 -33.81 68.58 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.635 -1.29 . . . . 0.0 114.185 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.93 -28.66 39.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.9 -37.21 70.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 110.667 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.74 -43.83 98.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.656 1.182 . . . . 0.0 109.684 169.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -57.77 -44.73 86.39 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.811 -1.181 . . . . 0.0 111.807 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.13 -46.96 87.0 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.834 -1.079 . . . . 0.0 111.398 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.34 -49.12 73.04 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.872 1.214 . . . . 0.0 111.247 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -66.77 -44.09 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 119.035 0.834 . . . . 0.0 111.443 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -68.03 -37.82 81.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.873 1.215 . . . . 0.0 113.061 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -86.06 -41.28 14.93 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -87.24 -50.63 6.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.265 0.939 . . . . 0.0 111.571 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 mt -95.94 66.96 2.65 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.993 0.901 . . . . 0.0 108.799 -172.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -60.36 63.27 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 129.745 3.218 . . . . 0.0 115.784 -169.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.42 0.26 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.692 1.597 . . . . 0.0 113.93 170.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.51 26.39 0.89 Allowed Glycine 0 N--CA 1.475 1.241 0 C-N-CA 126.647 2.07 . . . . 0.0 116.343 -170.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.5 p -81.51 5.25 18.43 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.305 1.442 . . . . 0.0 113.465 170.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -158.77 163.77 36.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.941 1.697 . . . . 0.0 111.913 -170.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.13 111.36 11.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.45 0.7 . . . . 0.0 109.28 174.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -149.91 -0.54 0.45 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.01 -30.1 71.2 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.639 -1.288 . . . . 0.0 113.134 -170.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.2 -32.14 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.473 1.109 . . . . 0.0 112.739 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -81.03 -31.81 34.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.3 0.64 . . . . 0.0 111.124 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.7 mm -65.08 -42.37 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.911 1.232 . . . . 0.0 111.224 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.23 -22.34 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.25 1.386 . . . . 0.0 112.911 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -77.16 -37.57 53.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.102 0.865 . . . . 0.0 111.377 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.68 -33.47 75.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.724 0.81 . . . . 0.0 111.371 172.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 65.6 mtp -60.14 -40.29 89.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.931 0.787 . . . . 0.0 111.381 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.67 -30.6 71.32 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.209 1.004 . . . . 0.0 112.62 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -77.3 -23.79 51.03 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.34 -41.88 23.96 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.155 1.382 . . . . 0.0 111.707 170.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.91 -13.39 56.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.691 1.996 . . . . 0.0 112.942 173.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -53.54 -31.72 47.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.563 1.945 . . . . 0.0 112.809 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -79.64 -56.63 4.16 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.445 1.098 . . . . 0.0 111.905 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -143.31 124.9 14.87 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.907 1.683 . . . . 0.0 110.656 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -81.3 -37.68 28.0 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -169.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.47 -38.68 62.86 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.132 0.573 . . . . 0.0 111.947 -174.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.08 139.36 13.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.097 1.359 . . . . 0.0 110.165 172.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.6 t -93.85 121.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.871 1.269 . . . . 0.0 108.224 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -80.53 148.01 30.58 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.567 0.747 . . . . 0.0 112.033 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.43 -40.6 62.38 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -172.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.67 -46.56 89.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.518 0.599 . . . . 0.0 110.689 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -29.52 62.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.66 0.784 . . . . 0.0 111.926 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.35 -38.33 86.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.95 0.9 . . . . 0.0 109.797 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 51.5 mt -72.57 -35.23 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 118.033 -0.984 . . . . 0.0 112.491 172.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -56.87 -43.75 81.54 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.782 1.628 . . . . 0.0 111.156 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -64.6 -39.45 93.74 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 112.245 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.84 -24.11 66.82 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.039 -1.038 . . . . 0.0 112.405 172.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.25 -39.26 82.32 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.667 1.127 . . . . 0.0 112.091 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.088 0.944 . . . . 0.0 111.919 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.53 -43.01 93.59 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.013 0.925 . . . . 0.0 110.695 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.21 77.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.46 1.104 . . . . 0.0 113.358 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 99.0 mtp -68.18 -32.59 72.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.356 0.98 . . . . 0.0 112.896 170.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.34 -33.04 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.775 0.716 . . . . 0.0 111.296 170.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -71.73 43.21 0.09 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.535 1.534 . . . . 0.0 112.891 169.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -52.32 -27.53 15.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.446 3.099 . . . . 0.0 116.309 -170.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -62.82 -36.92 84.77 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.961 1.255 . . . . 0.0 112.244 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.06 -15.32 62.98 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.28 -0.887 . . . . 0.0 113.0 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.09 8.24 38.76 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.954 2.102 . . . . 0.0 111.807 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -114.93 -39.54 3.67 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.831 1.652 . . . . 0.0 111.136 171.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.256 0 C-N-CA 126.108 1.813 . . . . 0.0 113.9 173.837 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.911 0.386 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -71.45 157.6 37.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.803 1.241 . . . . 0.0 112.172 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -80.17 43.5 2.69 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 125.545 1.545 . . . . 0.0 113.974 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 36.1 tp -46.6 -63.75 0.93 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.344 2.257 . . . . 0.0 112.083 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -50.66 -31.75 17.14 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.986 1.714 . . . . 0.0 114.342 -177.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.0 -20.72 62.38 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 -37.63 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.812 1.245 . . . . 0.0 108.558 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.79 -26.94 64.51 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.229 1.811 . . . . 0.0 112.141 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -55.45 -29.15 58.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.436 1.095 . . . . 0.0 112.869 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.52 -17.4 64.65 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.228 -0.92 . . . . 0.0 113.207 176.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 20.8 mt -96.21 -42.55 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.359 1.464 . . . . 0.0 110.85 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -46.18 -45.32 16.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.039 1.336 . . . . 0.0 113.611 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.27 -12.2 54.96 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -111.16 -1.81 16.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.001 2.12 . . . . 0.0 114.337 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.1 134.65 34.26 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.251 0.929 . . . . 0.0 112.636 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.16 152.63 38.44 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.11 -22.65 61.17 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.295 1.838 . . . . 0.0 114.152 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.08 -19.89 55.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.513 1.051 . . . . 0.0 113.429 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 37.1 mtt -55.83 -47.83 76.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.96 1.254 . . . . 0.0 111.733 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -58.81 -38.65 79.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.808 0.843 . . . . 0.0 111.685 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -72.66 -33.93 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.191 0.996 . . . . 0.0 111.55 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 89.9 m -70.17 -48.5 57.01 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.401 1.88 . . . . 0.0 111.203 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.63 -44.99 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.198 0.599 . . . . 0.0 110.453 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.24 -54.42 47.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.183 0.593 . . . . 0.0 112.518 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -68.97 -18.13 64.03 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.43 29.18 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.249 0.932 . . . . 0.0 112.021 169.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -72.84 -36.63 67.5 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.513 1.925 . . . . 0.0 112.701 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 2.6 p -54.08 -31.51 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.622 1.169 . . . . 0.0 112.95 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.67 -37.71 85.09 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.629 1.572 . . . . 0.0 112.875 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 54.7 m -104.58 0.07 28.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.092 0.957 . . . . 0.0 113.425 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.934 1.694 . . . . 0.0 113.436 -177.276 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.752 0.311 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -77.26 164.59 25.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.926 1.29 . . . . 0.0 112.419 173.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -174.67 -169.02 36.17 Favored Glycine 0 N--CA 1.472 1.085 0 C-N-CA 125.04 1.305 . . . . 0.0 113.468 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -38.36 67.58 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.019 0.927 . . . . 0.0 113.315 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -56.81 -25.26 55.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.815 1.246 . . . . 0.0 113.802 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -72.38 -18.08 61.77 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 173.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.79 -37.96 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.037 1.335 . . . . 0.0 108.798 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.73 -33.71 76.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.012 1.325 . . . . 0.0 111.202 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -51.99 -36.26 49.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.119 1.367 . . . . 0.0 112.305 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' D' ' 198' ' ' LYS . 11.0 mmpt? -69.0 -12.83 62.04 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.114 -1.616 . . . . 0.0 114.039 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.1 mt -95.29 -35.73 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.183 1.393 . . . . 0.0 110.219 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.47 -40.33 86.59 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.292 1.037 . . . . 0.0 111.265 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -85.08 -0.48 54.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.683 1.593 . . . . 0.0 113.641 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -96.66 -47.23 5.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.506 1.523 . . . . 0.0 108.969 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 76.74 168.28 28.18 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 118.654 2.222 . . . . 0.0 118.654 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -161.8 159.05 26.55 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.604 3.162 . . . . 0.0 108.231 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -112.57 -16.32 12.87 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.087 2.254 . . . . 0.0 117.087 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.77 -32.52 73.17 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.377 1.444 . . . . 0.0 113.162 -177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 11.0 ttm -50.1 -48.72 53.18 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.972 1.309 . . . . 0.0 109.929 168.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -78.77 -26.13 44.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.619 . . . . 0.0 111.417 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -75.12 -32.47 61.38 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.226 0.921 . . . . 0.0 111.592 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 60.4 m -69.86 -49.02 56.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.915 1.286 . . . . 0.0 110.92 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.1 -48.21 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.705 0.802 . . . . 0.0 110.767 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -53.09 -62.24 1.78 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.98 0.912 . . . . 0.0 111.817 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.76 -30.02 71.13 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.65 -1.281 . . . . 0.0 113.619 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.24 -26.94 47.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -100.77 -21.98 15.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.246 1.018 . . . . 0.0 113.142 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 6.4 t -63.95 -24.16 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.295 1.038 . . . . 0.0 112.749 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -61.5 -22.72 65.36 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.188 0.995 . . . . 0.0 113.638 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 37.1 m -91.07 -4.68 56.11 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.663 1.185 . . . . 0.0 113.815 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.34 1.456 . . . . 0.0 113.284 -169.644 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.721 -0.103 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.0 -49.55 0.05 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.745 1.618 . . . . 0.0 111.48 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 p -59.54 -29.5 5.96 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.61 -45.94 15.95 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.56 2.174 . . . . 0.0 113.375 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.87 -38.6 57.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.889 0.768 . . . . 0.0 111.475 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.19 -46.82 82.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.895 1.278 . . . . 0.0 111.936 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -70.39 -20.52 62.93 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.14 -47.78 13.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.359 0.982 . . . . 0.0 112.666 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -62.92 -33.94 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.235 -0.916 . . . . 0.0 110.943 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.58 75.37 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.816 -0.991 . . . . 0.0 113.434 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.82 65.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.995 1.397 . . . . 0.0 110.036 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.22 -37.79 84.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.048 0.939 . . . . 0.0 112.14 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.99 -48.28 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 119.699 1.136 . . . . 0.0 110.823 173.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.34 86.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.87 0.748 . . . . 0.0 112.946 -175.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 mt -64.45 -37.73 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.131 0.965 . . . . 0.0 112.115 171.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -77.99 -59.65 2.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.897 0.771 . . . . 0.0 112.629 -175.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -68.13 -22.5 64.87 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -62.37 -30.77 71.42 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.268 -0.895 . . . . 0.0 112.641 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -82.01 -40.81 21.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.236 -0.887 . . . . 0.0 112.373 169.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -62.53 -13.31 29.31 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.12 -0.19 61.84 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.434 1.016 . . . . 0.0 114.817 172.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -77.74 -42.69 33.31 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.982 1.391 . . . . 0.0 112.44 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -128.11 -31.99 2.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.784 1.634 . . . . 0.0 111.248 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.52 -171.78 45.27 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.189 1.852 . . . . 0.0 112.904 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -140.78 3.2 1.84 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.403 1.481 . . . . 0.0 113.842 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -133.95 -172.64 3.04 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.779 1.232 . . . . 0.0 113.157 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -75.34 37.47 0.13 Allowed 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 126.567 1.947 . . . . 0.0 114.107 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -141.81 131.26 23.78 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.639 1.975 . . . . 0.0 109.013 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.88 137.4 32.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.164 1.386 . . . . 0.0 111.333 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -78.88 154.42 29.76 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.515 -0.74 . . . . 0.0 109.14 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -56.4 -38.16 71.14 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 119.711 -1.868 . . . . 0.0 114.292 -173.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -68.23 -37.02 80.39 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.652 1.181 . . . . 0.0 112.53 173.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -67.49 -40.34 85.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 110.558 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.51 -44.5 94.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.453 1.501 . . . . 0.0 110.717 169.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.0 -39.93 87.47 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.607 -1.308 . . . . 0.0 112.031 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.29 -45.18 94.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.06 172.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -51.49 -53.25 39.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.378 0.99 . . . . 0.0 111.053 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.65 -47.46 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.903 0.774 . . . . 0.0 111.558 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.88 -32.65 74.06 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -83.16 -42.99 16.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -85.99 -43.73 12.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.962 0.801 . . . . 0.0 112.069 -172.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -107.06 63.12 0.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.104 1.361 . . . . 0.0 109.099 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.1 p -49.91 138.72 14.74 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.712 2.005 . . . . 0.0 114.045 -169.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -124.87 124.29 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.699 1.6 . . . . 0.0 108.989 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.41 -34.13 8.2 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.135 0.874 . . . . 0.0 112.985 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -81.71 64.97 6.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.275 1.43 . . . . 0.0 110.192 173.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -59.9 -9.24 2.77 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -169.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.98 -23.72 65.58 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.675 1.19 . . . . 0.0 111.482 169.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -67.93 -10.62 54.79 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.898 1.279 . . . . 0.0 113.142 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.86 -25.36 63.23 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.015 -1.678 . . . . 0.0 113.366 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.84 71.1 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 113.188 169.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.59 -33.5 31.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.834 0.854 . . . . 0.0 110.681 170.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.03 -39.33 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.023 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.05 -26.11 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-N 120.395 1.452 . . . . 0.0 112.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.16 -35.8 61.57 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.241 0.928 . . . . 0.0 112.554 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -68.02 -36.04 79.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.433 -0.792 . . . . 0.0 112.155 170.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.4 ttp -60.91 -43.27 98.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.617 1.167 . . . . 0.0 111.596 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.01 -43.79 86.89 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.208 1.003 . . . . 0.0 112.262 169.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -36.4 84.28 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.932 0.787 . . . . 0.0 112.915 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.11 -40.42 74.9 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.073 1.349 . . . . 0.0 111.803 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.65 -19.4 65.19 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.277 1.831 . . . . 0.0 114.319 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -57.33 -18.99 19.69 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -71.21 -17.5 62.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -150.9 -116.79 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.545 1.138 . . . . 0.0 111.722 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -127.41 -47.64 1.44 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.79 1.632 . . . . 0.0 113.212 -169.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -141.27 4.59 1.82 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.269 1.828 . . . . 0.0 112.019 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.97 167.2 25.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.948 1.699 . . . . 0.0 112.815 -169.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 t -133.12 115.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.511 1.924 . . . . 0.0 109.875 -175.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.2 148.6 32.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.69 -0.631 . . . . 0.0 111.781 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -48.19 -50.68 28.26 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -70.92 -27.35 63.71 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.947 -1.096 . . . . 0.0 112.964 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.76 -34.5 58.04 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.602 0.637 . . . . 0.0 111.687 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -60.89 -42.5 98.12 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.343 -0.848 . . . . 0.0 110.535 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -65.64 -37.91 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.369 -0.832 . . . . 0.0 111.847 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -62.1 -37.52 85.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.497 1.044 . . . . 0.0 111.671 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -65.11 -39.75 93.55 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.162 0.892 . . . . 0.0 112.061 171.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.25 -24.52 67.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.325 0.966 . . . . 0.0 112.281 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.34 -38.28 58.57 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.506 1.051 . . . . 0.0 112.929 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.32 81.33 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.047 0.923 . . . . 0.0 112.255 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.0 -42.85 89.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.123 0.969 . . . . 0.0 111.479 172.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.24 67.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.794 0.838 . . . . 0.0 112.629 172.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.66 -31.24 36.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.57 1.148 . . . . 0.0 113.384 172.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -65.16 -32.79 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.719 1.145 . . . . 0.0 111.45 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.63 52.38 0.39 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.14 1.376 . . . . 0.0 110.889 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -55.7 -12.81 1.38 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 117.142 -169.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.88 -26.24 65.91 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.207 -1.558 . . . . 0.0 111.625 169.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.93 69.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.077 1.351 . . . . 0.0 113.371 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.16 -9.22 59.83 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.575 1.55 . . . . 0.0 112.291 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -125.04 10.59 8.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 113.362 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.898 1.713 . . . . 0.0 114.46 -179.804 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.9 mtp . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.73 -67.22 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.783 2.033 . . . . 0.0 114.426 -171.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.8 m -59.11 -46.13 99.37 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-O 117.352 -1.308 . . . . 0.0 114.212 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -53.27 -40.57 77.23 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.849 3.033 . . . . 0.0 114.696 170.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.45 -43.7 55.02 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.457 1.026 . . . . 0.0 111.656 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.04 -38.03 87.19 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.303 1.441 . . . . 0.0 112.03 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -72.39 -28.55 63.07 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.55 -43.99 30.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.728 1.149 . . . . 0.0 112.861 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.9 pt -60.89 -35.12 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.538 1.063 . . . . 0.0 110.129 169.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.4 -17.55 70.64 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.731 1.158 . . . . 0.0 114.214 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -53.47 10.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.087 1.444 . . . . 0.0 109.882 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.69 -42.31 75.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.827 0.851 . . . . 0.0 110.943 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm -76.05 -35.68 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 118.641 0.655 . . . . 0.0 112.598 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.23 80.25 Favored Glycine 0 N--CA 1.469 0.893 0 C-N-CA 124.442 1.02 . . . . 0.0 112.226 175.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -73.65 -60.76 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.077 0.951 . . . . 0.0 109.248 169.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -53.6 -51.02 64.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.202 0.91 . . . . 0.0 113.14 -172.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -70.91 -19.67 62.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -169.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.21 -45.6 72.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.102 0.961 . . . . 0.0 111.556 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -80.49 -33.24 36.71 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.2 p -71.4 -43.18 67.28 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.419 1.009 . . . . 0.0 111.481 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.69 -20.55 64.11 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.73 1.157 . . . . 0.0 113.889 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.59 -31.61 69.62 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 118.571 1.186 . . . . 0.0 111.993 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -94.64 3.98 54.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 113.16 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.96 16.02 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 125.185 1.374 . . . . 0.0 113.7 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.86 -15.43 60.72 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -170.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -76.18 122.35 24.21 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.425 -0.797 . . . . 0.0 111.476 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -83.12 51.84 2.05 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.582 1.553 . . . . 0.0 113.214 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.3 p -133.86 163.64 29.06 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.946 1.698 . . . . 0.0 111.464 -176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.0 mt -121.07 126.87 50.93 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.128 1.371 . . . . 0.0 109.491 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -78.36 156.85 29.31 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 169.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -60.62 -26.49 67.06 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.767 -1.208 . . . . 0.0 114.174 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -78.52 -35.69 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.949 -1.094 . . . . 0.0 113.588 170.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -67.68 -37.3 82.13 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.703 0.683 . . . . 0.0 111.292 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.06 -43.5 86.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.175 1.39 . . . . 0.0 111.276 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -62.77 -35.69 80.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.692 -1.255 . . . . 0.0 111.803 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -46.37 90.14 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.051 1.34 . . . . 0.0 111.754 172.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -57.6 -53.02 62.95 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.769 1.228 . . . . 0.0 111.581 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.9 mt -61.25 -47.43 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.339 0.972 . . . . 0.0 111.585 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.64 -24.38 67.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.862 1.21 . . . . 0.0 112.995 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -86.56 -56.49 3.4 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -88.28 -15.84 34.71 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -169.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.5 mt -138.36 56.75 1.72 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.429 1.892 . . . . 0.0 109.785 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t -58.9 152.0 20.43 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 122.185 0.993 . . . . 0.0 111.73 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 pt -115.11 148.93 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.696 1.998 . . . . 0.0 112.23 -169.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.59 -10.16 84.71 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.342 0.973 . . . . 0.0 115.155 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.9 t -170.17 148.99 3.42 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.538 1.935 . . . . 0.0 109.965 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -64.66 -8.83 15.95 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.753 -1.217 . . . . 0.0 114.229 173.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.53 -22.38 66.95 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.338 0.972 . . . . 0.0 111.572 168.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -78.56 -20.44 50.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.546 1.138 . . . . 0.0 112.706 172.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.03 -35.53 78.85 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.458 -1.401 . . . . 0.0 111.525 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.72 -28.07 68.38 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.019 1.328 . . . . 0.0 113.013 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.89 -39.18 24.23 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.484 1.114 . . . . 0.0 111.016 171.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.22 -42.32 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.669 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.83 -29.15 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 120.286 1.403 . . . . 0.0 113.034 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -74.3 -35.95 63.72 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.058 0.845 . . . . 0.0 112.64 171.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.12 -37.08 83.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.331 -0.856 . . . . 0.0 111.811 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -60.4 -39.11 86.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.978 1.311 . . . . 0.0 111.467 170.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -65.15 -38.07 89.42 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.066 0.946 . . . . 0.0 113.096 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.19 -20.8 62.23 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.794 1.179 . . . . 0.0 113.811 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.5 -44.3 19.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.46 1.104 . . . . 0.0 110.663 169.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -57.69 -38.91 76.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.525 1.13 . . . . 0.0 112.576 171.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -56.31 -23.2 35.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.158 2.183 . . . . 0.0 113.689 171.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -78.43 -5.1 51.47 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.688 1.195 . . . . 0.0 113.176 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -153.26 -135.35 0.06 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 125.95 1.7 . . . . 0.0 111.189 172.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -118.49 -23.59 7.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.047 1.739 . . . . 0.0 114.71 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -172.12 -32.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.905 1.682 . . . . 0.0 112.207 -173.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -140.39 140.14 35.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.421 1.488 . . . . 0.0 110.745 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.1 m -95.44 134.84 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.25 1.02 . . . . 0.0 110.059 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -80.58 163.83 23.38 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.356 0.598 . . . . 0.0 112.126 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -42.18 -46.8 4.51 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.877 2.071 . . . . 0.0 114.101 172.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.8 -45.33 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.887 0.767 . . . . 0.0 111.374 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.48 -26.94 61.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.577 0.751 . . . . 0.0 112.496 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.58 -42.29 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.816 -0.552 . . . . 0.0 111.273 169.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.29 -42.78 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.737 -0.602 . . . . 0.0 110.666 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.5 m -57.75 -45.48 85.84 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.639 0.776 . . . . 0.0 111.56 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -66.58 -38.41 86.97 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.972 0.805 . . . . 0.0 112.022 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.58 -28.86 68.85 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.917 1.235 . . . . 0.0 112.372 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.18 -40.74 96.98 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.93 0.776 . . . . 0.0 112.092 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.07 84.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.373 0.669 . . . . 0.0 111.957 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.54 -44.74 89.71 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.049 -1.032 . . . . 0.0 111.151 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.889 0.876 . . . . 0.0 112.571 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 46.1 tpp -68.77 -35.83 77.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.146 0.978 . . . . 0.0 111.127 169.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.63 -27.36 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.346 -0.846 . . . . 0.0 111.415 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -74.62 43.75 0.19 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 126.144 1.777 . . . . 0.0 111.33 170.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -56.19 -23.82 37.76 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.27 -35.63 80.9 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.183 1.81 . . . . 0.0 111.789 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.47 -20.2 63.74 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -91.77 11.92 23.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.955 2.102 . . . . 0.0 112.762 170.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -121.83 -36.88 2.94 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 111.761 170.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.301 0 C-N-CA 125.966 1.746 . . . . 0.0 112.856 171.835 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.23 157.43 31.46 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.286 1.434 . . . . 0.0 112.743 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 152.97 -37.49 0.76 Allowed Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.185 1.374 . . . . 0.0 114.157 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.74 -63.33 1.33 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 111.123 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -47.48 -42.38 22.69 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.45 1.5 . . . . 0.0 112.555 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.02 -13.22 45.16 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.28 -29.1 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.984 1.265 . . . . 0.0 109.788 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -80.65 -30.1 36.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.864 2.066 . . . . 0.0 111.488 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -56.36 -32.32 64.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.632 1.173 . . . . 0.0 111.994 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -61.52 -30.27 70.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 13.4 mt -81.24 -40.67 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.025 0.829 . . . . 0.0 111.108 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.3 -40.0 73.63 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.163 0.892 . . . . 0.0 112.739 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.37 -4.24 38.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.661 1.584 . . . . 0.0 114.292 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -109.34 7.18 25.0 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.819 2.048 . . . . 0.0 111.507 170.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.44 169.06 54.78 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.366 1.936 . . . . 0.0 114.085 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.48 158.71 15.33 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.63 -10.37 55.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.162 1.785 . . . . 0.0 113.17 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -62.99 -23.19 67.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.928 1.291 . . . . 0.0 113.814 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 7.8 mmt -53.17 -47.42 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.558 1.072 . . . . 0.0 112.965 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -65.48 -23.38 66.89 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.434 -0.791 . . . . 0.0 113.037 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.97 -51.68 7.82 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.011 1.724 . . . . 0.0 109.562 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 90.4 m -61.7 -51.82 66.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.974 2.11 . . . . 0.0 111.721 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.48 -42.9 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.687 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.96 -54.89 42.08 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.356 0.98 . . . . 0.0 112.104 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.83 -40.76 97.36 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.223 -0.923 . . . . 0.0 112.122 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.61 76.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.931 0.892 . . . . 0.0 113.036 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -76.31 -35.16 58.96 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.151 0.887 . . . . 0.0 112.691 173.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 35.7 t -77.33 -31.8 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.211 1.005 . . . . 0.0 113.294 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -75.33 -4.08 37.2 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -169.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 2.2 m -59.36 -46.37 88.83 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -169.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.808 2.043 . . . . 0.0 113.569 179.208 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 57.4 p . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -161.85 150.43 15.37 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.641 1.576 . . . . 0.0 109.742 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -78.71 49.4 3.4 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.664 1.602 . . . . 0.0 112.645 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -52.21 -44.27 64.68 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.069 1.748 . . . . 0.0 113.769 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -26.84 41.29 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.615 1.166 . . . . 0.0 113.912 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.91 -16.42 58.23 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.307 0.958 . . . . 0.0 113.447 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.87 -38.92 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.28 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.31 -34.02 77.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.506 1.522 . . . . 0.0 112.025 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.76 -29.81 41.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 113.199 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -67.18 -21.49 65.78 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.531 -0.731 . . . . 0.0 112.935 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.3 mt -91.65 -37.5 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.136 1.374 . . . . 0.0 110.537 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.71 -38.61 69.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.747 -1.22 . . . . 0.0 112.985 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -6.72 35.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -101.02 -44.58 5.67 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.425 1.49 . . . . 0.0 109.146 169.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.69 165.37 40.45 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.038 1.78 . . . . 0.0 116.679 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -75.04 169.59 17.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.216 1.806 . . . . 0.0 111.741 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -152.77 -33.38 0.13 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -93.42 -23.62 18.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.175 0.99 . . . . 0.0 112.61 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 19.4 ttt -53.03 -50.24 64.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.394 1.078 . . . . 0.0 111.495 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -61.77 -30.79 71.03 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.399 1.08 . . . . 0.0 113.262 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -70.21 -42.82 71.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.047 0.939 . . . . 0.0 110.378 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 25.6 m -67.38 -45.82 75.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.747 0.819 . . . . 0.0 111.575 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.3 mt -55.85 -46.45 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.37 0.668 . . . . 0.0 111.073 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.41 -59.49 5.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.218 0.607 . . . . 0.0 111.557 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.17 -41.45 98.33 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.744 -1.223 . . . . 0.0 112.555 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.09 71.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -76.06 -41.36 50.85 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.64 0.776 . . . . 0.0 112.851 170.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 42.8 t -70.44 -38.65 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.881 1.273 . . . . 0.0 113.656 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.09 -9.78 56.6 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -169.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 51.5 m -100.37 6.91 44.57 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--O 1.253 1.286 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -176.065 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.98 -50.32 0.7 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.829 3.252 . . . . 0.0 114.048 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -56.51 -39.01 74.63 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -67.14 -41.83 8.9 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.248 1.965 . . . . 0.0 112.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 tp -74.76 -40.31 61.29 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.798 0.726 . . . . 0.0 111.17 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.06 -35.35 80.45 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.454 1.102 . . . . 0.0 112.664 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -73.63 -23.28 59.86 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -47.55 14.57 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.68 -32.75 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 120.996 -1.065 . . . . 0.0 111.142 170.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.81 70.49 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.155 0.883 . . . . 0.0 113.478 171.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -51.99 44.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.295 1.047 . . . . 0.0 110.046 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -59.51 -38.43 80.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.023 0.929 . . . . 0.0 112.212 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.03 -48.51 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.184 0.902 . . . . 0.0 110.744 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -27.92 73.29 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.424 1.011 . . . . 0.0 113.528 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.96 -51.63 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.492 1.117 . . . . 0.0 111.309 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -70.58 -51.18 30.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.668 1.122 . . . . 0.0 113.081 -173.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -68.66 -22.7 64.37 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -42.53 63.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.721 1.209 . . . . 0.0 112.687 169.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.43 -32.35 26.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 p -72.43 -41.99 65.56 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.318 1.417 . . . . 0.0 111.404 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.41 -11.01 64.11 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.416 1.484 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.38 -39.67 95.15 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.658 1.229 . . . . 0.0 111.54 170.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -94.52 -20.22 19.84 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.71 1.204 . . . . 0.0 112.224 170.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.67 20.84 15.76 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.971 1.272 . . . . 0.0 114.199 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -76.09 150.2 37.31 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.403 1.102 . . . . 0.0 112.59 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.73 -43.35 93.67 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.76 20.36 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -169.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.58 150.13 47.77 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.667 -1.271 . . . . 0.0 113.007 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -123.25 134.59 54.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.794 2.038 . . . . 0.0 110.211 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.8 p -79.5 168.65 19.14 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.485 -0.76 . . . . 0.0 112.47 171.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -53.97 -47.06 71.76 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.114 -0.991 . . . . 0.0 112.831 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.81 -35.09 64.84 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.355 -0.84 . . . . 0.0 112.465 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.53 -30.84 69.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 111.752 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.34 -45.1 70.25 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.175 0.99 . . . . 0.0 110.77 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.56 -35.96 75.25 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.188 -0.945 . . . . 0.0 112.101 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.75 -51.26 69.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 117.903 -1.046 . . . . 0.0 111.161 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 tt -49.59 -47.8 49.18 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.322 1.419 . . . . 0.0 111.339 173.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.44 -49.37 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 119.187 0.903 . . . . 0.0 112.184 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -69.89 -27.54 64.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.848 0.749 . . . . 0.0 112.852 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -86.91 -48.13 8.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.976 1.262 . . . . 0.0 113.688 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -87.04 -46.3 9.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.827 0.74 . . . . 0.0 112.259 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -82.78 -26.79 31.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.711 0.687 . . . . 0.0 110.803 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.306 6.0 t 50.97 40.34 25.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 127.769 2.428 . . . . 0.0 113.816 169.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 pp -70.79 -12.22 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.179 1.391 . . . . 0.0 113.899 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.7 149.89 26.15 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.9 1.714 . . . . 0.0 113.654 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.2 p -86.2 30.09 0.71 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.428 1.491 . . . . 0.0 113.57 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -72.27 -172.67 0.95 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.698 1.999 . . . . 0.0 113.037 172.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.65 -26.74 62.08 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 120.953 -1.092 . . . . 0.0 113.535 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.87 -23.08 63.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.043 1.337 . . . . 0.0 113.321 174.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.65 -23.67 66.22 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.869 -1.144 . . . . 0.0 112.998 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -26.52 67.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.485 1.114 . . . . 0.0 112.697 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.85 -35.79 28.96 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.741 0.817 . . . . 0.0 110.366 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -63.62 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 117.897 -1.049 . . . . 0.0 111.967 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -62.62 -34.25 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 120.04 1.291 . . . . 0.0 112.028 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -73.47 -36.57 65.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.179 0.899 . . . . 0.0 112.672 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.29 -39.26 92.38 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.689 1.131 . . . . 0.0 111.991 171.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -62.26 -37.2 84.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.805 172.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.03 -27.3 60.88 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.586 1.154 . . . . 0.0 113.457 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -75.05 -26.96 59.81 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 112.474 170.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.73 -51.55 40.21 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.577 1.151 . . . . 0.0 109.497 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.87 -22.21 35.21 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.002 1.721 . . . . 0.0 113.83 173.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -61.3 -21.46 63.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.557 1.543 . . . . 0.0 113.078 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -84.8 -31.27 23.98 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.532 1.133 . . . . 0.0 112.815 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -161.62 125.78 3.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.741 1.616 . . . . 0.0 111.521 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.5 129.97 41.58 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 114.051 -171.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 78.51 -45.46 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.887 3.275 . . . . 0.0 112.206 171.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -136.47 120.8 18.01 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 109.484 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.0 m -97.65 123.95 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.164 1.385 . . . . 0.0 110.196 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.16 155.41 30.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.298 0.57 . . . . 0.0 110.123 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -50.73 -34.91 28.89 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.48 1.512 . . . . 0.0 114.359 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -62.72 -45.6 91.96 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.084 -1.01 . . . . 0.0 112.163 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.6 -32.13 63.94 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.812 0.845 . . . . 0.0 111.709 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.2 -47.48 85.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.574 0.75 . . . . 0.0 111.166 169.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -66.21 -38.66 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.569 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -57.04 -42.96 81.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.473 1.033 . . . . 0.0 111.556 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.96 -35.27 76.57 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.04 -28.96 69.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.629 1.104 . . . . 0.0 111.656 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.39 81.04 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.213 0.911 . . . . 0.0 111.818 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.29 85.53 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.268 1.034 . . . . 0.0 111.901 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -53.85 -50.46 66.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.732 1.151 . . . . 0.0 110.876 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.67 82.81 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.586 0.755 . . . . 0.0 113.026 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 ttp -74.64 -33.7 62.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.104 1.361 . . . . 0.0 113.25 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -62.93 -39.17 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 110.091 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -74.5 50.39 0.42 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.041 1.737 . . . . 0.0 113.971 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -49.75 -24.71 2.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.092 2.157 . . . . 0.0 115.559 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -54.86 -31.55 59.72 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.755 1.161 . . . . 0.0 112.67 170.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.51 -27.69 58.86 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.092 -1.005 . . . . 0.0 113.167 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -76.09 -34.37 59.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.459 1.104 . . . . 0.0 110.913 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.44 -42.23 65.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.038 0.935 . . . . 0.0 112.434 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 C-N-CA 125.62 1.581 . . . . 0.0 113.315 178.18 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.85 73.11 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -44.9 99.9 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-O 117.532 -1.223 . . . . 0.0 114.19 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.51 -38.21 83.23 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 123.971 3.114 . . . . 0.0 114.652 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 tp -75.37 -40.64 57.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.164 0.893 . . . . 0.0 111.61 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.95 -36.82 82.55 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.414 1.085 . . . . 0.0 112.196 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -72.35 -31.33 65.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.439 170.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.09 -45.75 59.46 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.809 1.186 . . . . 0.0 112.207 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 pt -64.69 -34.72 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.206 -0.933 . . . . 0.0 110.755 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.01 -32.12 79.07 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.711 1.148 . . . . 0.0 112.838 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -49.66 63.78 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.55 1.14 . . . . 0.0 110.902 174.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.42 -40.75 83.32 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.808 0.843 . . . . 0.0 111.502 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.51 -45.88 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.541 0.609 . . . . 0.0 110.887 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.95 67.23 Favored Glycine 0 N--CA 1.47 0.903 0 C-N-CA 124.708 1.147 . . . . 0.0 113.997 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.48 -39.82 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.692 1.246 . . . . 0.0 112.113 171.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -71.34 -59.42 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.976 0.807 . . . . 0.0 112.176 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -72.53 -20.63 61.31 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -51.77 -38.79 56.95 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.221 1.408 . . . . 0.0 112.62 169.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -76.1 -22.13 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -76.26 -36.14 58.61 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.051 -1.031 . . . . 0.0 110.543 168.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.42 -14.34 48.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 126.208 1.861 . . . . 0.0 114.503 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.45 -37.84 79.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.547 1.139 . . . . 0.0 111.236 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -102.68 -18.93 14.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.389 1.476 . . . . 0.0 112.337 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.07 23.69 43.97 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.161 1.362 . . . . 0.0 113.003 -170.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -84.46 172.99 11.22 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.878 1.271 . . . . 0.0 113.245 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.38 -176.37 1.49 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.46 49.82 0.5 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.619 1.968 . . . . 0.0 114.407 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -147.49 139.78 24.48 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.887 1.675 . . . . 0.0 110.537 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.42 144.17 46.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.79 1.236 . . . . 0.0 110.904 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.9 p -77.83 160.75 28.13 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.021 -1.049 . . . . 0.0 110.233 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -59.28 -26.22 64.77 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.698 -1.251 . . . . 0.0 113.782 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -81.09 -37.77 28.4 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.044 -1.035 . . . . 0.0 113.073 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.86 -33.82 76.44 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.665 1.12 . . . . 0.0 110.943 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.68 -39.03 90.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.188 0.995 . . . . 0.0 110.553 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -59.21 -41.55 88.84 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.788 1.177 . . . . 0.0 111.608 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.89 -40.2 94.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.774 0.716 . . . . 0.0 111.998 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.35 -52.77 63.82 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.133 0.879 . . . . 0.0 110.511 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -60.64 -37.35 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.309 1.043 . . . . 0.0 112.58 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.69 -26.71 66.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.124 1.329 . . . . 0.0 112.554 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -85.08 -47.45 10.18 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.674 1.124 . . . . 0.0 111.628 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -73.87 -49.96 22.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.442 1.097 . . . . 0.0 111.772 -169.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.53 55.51 0.91 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.877 2.071 . . . . 0.0 111.06 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -61.06 139.84 57.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.666 0.746 . . . . 0.0 110.394 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.04 -7.21 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 125.302 1.441 . . . . 0.0 111.424 176.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.58 -133.34 15.66 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.51 1.053 . . . . 0.0 112.195 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.9 p -76.44 -17.49 59.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.474 1.11 . . . . 0.0 113.828 175.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.68 154.26 40.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.371 1.468 . . . . 0.0 111.509 173.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -83.9 -112.31 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.047 1.339 . . . . 0.0 111.984 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 71.89 1.09 3.77 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.806 2.442 . . . . 0.0 114.233 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.6 -28.18 69.71 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.094 -1.628 . . . . 0.0 113.185 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.75 70.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 0.0 113.121 170.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -80.99 -36.66 30.43 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.98 0.912 . . . . 0.0 110.692 170.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.75 -48.56 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.793 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.2 m -64.28 -26.65 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.336 1.426 . . . . 0.0 112.581 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.52 -38.61 59.27 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.554 1.07 . . . . 0.0 112.283 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -40.68 88.48 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 169.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 57.9 mtm -69.49 -31.69 70.1 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.55 -35.96 80.06 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.505 1.122 . . . . 0.0 111.971 170.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -71.38 -28.38 63.99 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.116 -0.99 . . . . 0.0 112.918 171.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.99 -48.17 46.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.133 0.973 . . . . 0.0 110.115 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.04 -31.67 72.86 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.169 1.788 . . . . 0.0 113.483 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -54.78 -22.03 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.362 1.465 . . . . 0.0 114.356 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.48 -18.61 61.09 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -141.24 -158.55 0.87 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.093 2.157 . . . . 0.0 111.395 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -101.73 -30.17 11.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.664 1.586 . . . . 0.0 114.205 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -173.56 -35.51 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.773 1.629 . . . . 0.0 112.966 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -107.31 125.62 51.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.625 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.62 119.33 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.801 2.04 . . . . 0.0 108.787 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -78.55 153.19 31.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.583 0.753 . . . . 0.0 111.617 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -47.46 -41.84 21.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.367 1.867 . . . . 0.0 115.07 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -64.03 -43.36 95.81 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.539 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -71.9 -34.9 69.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.757 0.708 . . . . 0.0 111.397 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.44 -42.95 93.09 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 170.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.78 -38.11 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.325 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.3 m -56.17 -41.77 76.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.187 1.358 . . . . 0.0 111.243 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -66.91 -38.46 86.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.23 -23.34 66.6 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.581 1.082 . . . . 0.0 112.272 170.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.16 96.41 Favored Glycine 0 N--CA 1.469 0.855 0 CA-C-N 119.514 1.052 . . . . 0.0 112.651 170.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.71 75.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 112.455 171.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tp -66.89 -38.5 86.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.605 0.762 . . . . 0.0 111.832 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.42 97.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.96 -1.088 . . . . 0.0 111.286 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.9 -35.94 77.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -35.05 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.689 1.131 . . . . 0.0 112.746 178.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -74.02 50.82 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.269 1.028 . . . . 0.0 111.784 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.39 -23.87 51.91 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.947 1.699 . . . . 0.0 114.385 -169.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -50.65 -37.31 40.0 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.967 1.307 . . . . 0.0 112.421 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.94 -27.77 61.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.477 1.111 . . . . 0.0 113.18 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.38 -39.33 39.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 110.259 172.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -64.09 -43.26 95.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.536 1.135 . . . . 0.0 112.503 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.371 0 C-N-CA 125.817 1.675 . . . . 0.0 113.964 179.488 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.83 -14.32 60.67 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.908 -1.12 . . . . 0.0 113.041 170.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 80.56 77.34 0.98 Allowed Glycine 0 N--CA 1.472 1.062 0 C-N-CA 124.635 1.112 . . . . 0.0 111.361 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -54.34 -35.51 62.8 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -170.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.29 -31.57 21.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.222 1.409 . . . . 0.0 113.419 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.1 -19.4 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.7 t -97.23 -36.81 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.573 1.549 . . . . 0.0 109.292 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.79 -36.41 83.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.47 1.508 . . . . 0.0 110.924 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -54.55 -33.56 60.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.559 1.143 . . . . 0.0 113.132 172.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.52 -20.94 66.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.153 -0.967 . . . . 0.0 113.013 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 58.2 mt -91.53 -41.97 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.398 1.479 . . . . 0.0 110.799 172.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -50.98 -43.38 60.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.978 0.911 . . . . 0.0 113.192 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.2 -1.18 48.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -110.16 -41.0 4.54 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.473 1.509 . . . . 0.0 113.482 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -124.11 132.32 8.29 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.795 1.188 . . . . 0.0 114.533 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -172.76 126.47 0.48 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.794 2.437 . . . . 0.0 109.99 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -164.42 -59.92 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.544 1.138 . . . . 0.0 112.654 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.29 -25.05 60.51 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 22.8 mmt -52.66 -47.89 66.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.898 0.879 . . . . 0.0 111.243 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -65.94 -19.46 65.87 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.778 1.231 . . . . 0.0 112.858 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -85.59 -47.22 10.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.139 1.376 . . . . 0.0 111.819 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 62.2 m -71.79 -49.78 35.7 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.311 1.444 . . . . 0.0 112.458 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.7 -34.19 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.835 0.743 . . . . 0.0 111.66 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -60.39 -28.85 68.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.198 0.999 . . . . 0.0 113.328 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -99.2 -38.08 9.04 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.53 66.8 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -171.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -82.43 -14.46 55.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.747 1.219 . . . . 0.0 113.391 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 44.6 t -96.86 -37.69 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 126.352 1.861 . . . . 0.0 111.554 -175.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.73 -8.62 10.95 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.104 2.161 . . . . 0.0 114.096 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 1.1 m -62.66 -20.22 64.6 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.917 1.687 . . . . 0.0 113.613 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.839 2.056 . . . . 0.0 112.444 -169.719 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 49.3 p . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 119.32 -0.371 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -81.55 154.66 26.13 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.794 1.238 . . . . 0.0 112.106 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -94.24 148.23 18.91 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.907 1.242 . . . . 0.0 110.69 169.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -44.15 74.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.286 0.634 . . . . 0.0 112.546 -175.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -31.61 69.62 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.29 1.436 . . . . 0.0 113.42 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -81.29 -16.46 52.45 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.557 1.071 . . . . 0.0 113.328 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.0 t -87.79 -38.26 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.127 1.371 . . . . 0.0 109.738 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 38.4 mt -68.71 -32.5 72.34 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.765 1.626 . . . . 0.0 111.379 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.03 -45.4 79.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 112.127 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -77.09 -12.97 60.01 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 80.3 mt -87.18 -43.63 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.845 1.258 . . . . 0.0 110.967 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -54.36 -39.6 67.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.452 1.501 . . . . 0.0 113.102 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.27 -1.32 3.24 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.106 1.362 . . . . 0.0 114.642 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.15 -16.8 56.1 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.295 1.038 . . . . 0.0 113.0 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 112.56 -173.28 15.19 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.961 1.744 . . . . 0.0 114.607 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.14 162.27 25.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.606 1.962 . . . . 0.0 111.76 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -155.39 -61.79 0.11 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.786 1.235 . . . . 0.0 112.279 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.73 -26.81 67.45 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.58 -52.11 66.94 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.853 0.861 . . . . 0.0 109.86 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -60.02 -28.36 67.67 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.124 -0.985 . . . . 0.0 112.778 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -76.29 -25.89 55.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.775 0.716 . . . . 0.0 112.606 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 27.9 m -97.1 -47.2 5.87 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.302 1.441 . . . . 0.0 112.838 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.3 mm -54.3 -49.7 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.453 1.101 . . . . 0.0 111.317 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -53.58 -38.19 63.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.294 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.54 -25.4 64.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.412 1.085 . . . . 0.0 113.775 -176.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -90.46 -35.0 15.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.244 1.018 . . . . 0.0 111.393 169.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -80.34 -20.66 43.7 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.417 1.487 . . . . 0.0 113.335 -169.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.62 -37.32 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 124.277 1.031 . . . . 0.0 112.555 169.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -79.21 -11.79 59.96 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.288 1.435 . . . . 0.0 113.129 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 14.2 m -79.33 -1.35 36.45 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.497 -1.377 . . . . 0.0 113.082 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.671 1.589 . . . . 0.0 112.682 -173.807 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.76 14.18 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.142 1.377 . . . . 0.0 114.354 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -40.2 -44.46 4.28 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -174.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -70.69 -30.5 17.88 Favored 'Trans proline' 0 C--N 1.356 0.97 0 CA-C-N 122.805 2.037 . . . . 0.0 113.477 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -82.02 -39.3 23.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.804 1.184 . . . . 0.0 111.666 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -56.93 -38.27 72.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.095 . . . . 0.0 112.558 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -67.03 -29.14 68.87 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.28 10.09 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.335 0.971 . . . . 0.0 112.789 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.252 10.6 pt -66.86 -26.51 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 120.812 -1.18 . . . . 0.0 111.588 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.85 -22.39 79.11 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.652 1.12 . . . . 0.0 113.272 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -51.05 56.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.285 1.542 . . . . 0.0 109.679 171.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -57.62 -41.52 81.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.102 0.961 . . . . 0.0 111.542 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.54 -45.98 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.274 0.943 . . . . 0.0 111.406 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -32.63 82.26 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.728 1.156 . . . . 0.0 112.719 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.08 -55.54 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 118.436 1.118 . . . . 0.0 110.294 169.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.1 -55.05 40.02 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.252 1.421 . . . . 0.0 114.563 -169.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.75 -22.25 66.05 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -168.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -55.73 -44.6 77.67 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.695 0.679 . . . . 0.0 111.681 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -81.58 -36.24 29.24 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.945 1.298 . . . . 0.0 112.52 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -61.58 -24.22 66.52 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.54 1.064 . . . . 0.0 113.704 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 14.12 65.71 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.594 1.569 . . . . 0.0 115.098 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -74.58 -53.34 9.59 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.37 1.585 . . . . 0.0 110.982 173.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -99.07 94.83 6.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.445 1.098 . . . . 0.0 109.83 173.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.16 -142.02 31.01 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.03 0.824 . . . . 0.0 111.809 -175.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.74 127.54 17.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.081 1.352 . . . . 0.0 109.932 170.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -168.92 173.84 6.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.333 1.453 . . . . 0.0 112.601 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 30.03 4.47 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.943 2.097 . . . . 0.0 113.025 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -143.73 152.5 41.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.016 2.127 . . . . 0.0 111.29 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -116.13 134.04 55.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.083 1.753 . . . . 0.0 111.073 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.6 p -79.62 170.76 16.08 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.335 -0.853 . . . . 0.0 110.838 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -55.25 -49.87 70.92 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.338 -1.476 . . . . 0.0 113.299 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -70.01 -33.99 72.72 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.72 -33.71 74.4 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.241 1.416 . . . . 0.0 111.438 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -71.07 -44.17 66.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.852 1.261 . . . . 0.0 110.872 169.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -40.87 76.6 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.745 -1.222 . . . . 0.0 111.055 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.27 -51.58 68.77 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.727 1.211 . . . . 0.0 111.651 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.21 -48.28 62.07 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.09 1.314 . . . . 0.0 111.689 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.7 -50.01 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.484 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -69.92 -26.91 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -87.54 -49.41 7.2 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.39 -46.12 9.93 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.046 0.839 . . . . 0.0 112.027 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -105.44 36.27 2.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.275 1.43 . . . . 0.0 109.754 -171.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.12 159.6 9.37 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 127.815 2.446 . . . . 0.0 115.535 -168.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.98 146.49 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 127.776 2.43 . . . . 0.0 108.789 169.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.01 -33.81 28.58 Favored Glycine 0 N--CA 1.474 1.173 0 N-CA-C 115.727 1.051 . . . . 0.0 115.727 -169.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -84.67 -31.55 24.08 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.541 1.17 . . . . 0.0 113.494 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.1 mttm 62.57 9.53 3.52 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.815 2.046 . . . . 0.0 114.83 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.68 -25.02 67.76 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.454 1.101 . . . . 0.0 112.209 170.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -83.88 10.36 9.88 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.654 1.581 . . . . 0.0 113.591 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.17 -27.05 65.31 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.315 -1.49 . . . . 0.0 113.037 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.1 69.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.321 . . . . 0.0 112.82 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.33 -31.96 37.99 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.658 0.783 . . . . 0.0 111.495 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.1 mm -67.07 -42.06 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.086 1.312 . . . . 0.0 111.965 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -65.56 -30.57 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.395 0.998 . . . . 0.0 111.443 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -76.6 -36.62 57.39 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.728 -0.608 . . . . 0.0 112.159 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.91 -42.13 98.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.158 0.89 . . . . 0.0 111.136 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -60.82 -37.76 83.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.137 0.975 . . . . 0.0 112.026 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.07 -31.22 67.58 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.103 0.961 . . . . 0.0 113.141 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -73.53 -32.65 64.33 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.951 1.3 . . . . 0.0 112.59 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.53 -43.61 80.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.568 1.547 . . . . 0.0 111.735 169.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.87 -18.21 64.73 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.067 1.347 . . . . 0.0 113.463 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -54.17 -27.4 33.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.785 1.634 . . . . 0.0 113.742 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -61.32 -30.29 70.4 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.563 1.145 . . . . 0.0 113.438 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -143.34 -132.15 0.09 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 110.783 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -168.78 97.2 0.38 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.869 2.068 . . . . 0.0 110.438 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 112.03 -14.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 131.252 3.821 . . . . 0.0 113.091 170.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -159.3 153.44 23.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.462 1.105 . . . . 0.0 112.43 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.6 t -127.2 112.15 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.388 1.875 . . . . 0.0 108.057 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -79.19 160.26 27.02 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.305 0.642 . . . . 0.0 110.672 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -49.17 -46.12 44.98 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -174.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -64.74 -36.7 85.13 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.196 -0.94 . . . . 0.0 112.244 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -71.59 -34.83 70.22 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.979 0.912 . . . . 0.0 111.842 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -61.73 -46.48 89.48 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.67 1.188 . . . . 0.0 111.204 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.4 mt -67.32 -35.59 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.334 -0.854 . . . . 0.0 111.782 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.2 m -61.14 -42.64 98.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 111.146 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.7 -39.87 91.69 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.104 0.865 . . . . 0.0 111.828 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.44 -22.94 67.11 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.048 0.84 . . . . 0.0 112.691 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.01 -36.47 60.77 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.267 0.937 . . . . 0.0 112.071 169.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.85 78.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 117.913 0.857 . . . . 0.0 111.062 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 tp -61.95 -39.52 92.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.687 1.195 . . . . 0.0 111.953 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.91 71.26 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.867 0.867 . . . . 0.0 112.436 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.8 ttm -74.31 -23.57 59.09 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -61.9 -29.37 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.35 0.977 . . . . 0.0 111.236 170.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.16 57.41 0.85 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.2 1.0 . . . . 0.0 111.63 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -50.76 -27.99 8.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.353 1.861 . . . . 0.0 115.284 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -68.66 -45.55 71.44 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.378 0.99 . . . . 0.0 111.767 174.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.78 74.31 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.252 1.021 . . . . 0.0 111.835 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -5.42 35.12 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.752 2.021 . . . . 0.0 113.748 173.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -117.38 -43.89 2.8 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.637 1.575 . . . . 0.0 112.627 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 CA-C-O 118.071 -1.405 . . . . 0.0 113.864 -179.521 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 111.235 0.087 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.68 -40.05 66.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -52.53 -43.83 93.11 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.44 -39.89 72.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.109 3.206 . . . . 0.0 114.365 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 40.7 tp -74.35 -43.41 56.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.339 0.972 . . . . 0.0 111.247 174.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.2 -41.68 93.51 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 0.0 111.103 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.5 -23.86 60.1 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.95 -42.03 58.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.48 1.037 . . . . 0.0 111.662 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 pt -67.9 -26.77 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.25 -0.906 . . . . 0.0 111.245 169.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.37 -22.7 74.88 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.871 1.224 . . . . 0.0 113.621 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.3 56.31 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.156 1.478 . . . . 0.0 110.51 171.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -56.88 -42.59 80.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.892 1.277 . . . . 0.0 112.098 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.4 mt -66.6 -47.25 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 118.303 0.502 . . . . 0.0 110.463 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.86 85.61 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.32 0.962 . . . . 0.0 114.1 -174.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.83 -44.08 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.588 1.194 . . . . 0.0 111.497 171.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -69.39 -50.11 49.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.711 0.687 . . . . 0.0 112.479 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -72.91 -24.02 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -61.4 -39.65 91.5 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.603 -0.686 . . . . 0.0 110.993 168.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.84 -41.93 20.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -60.96 -18.61 58.1 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.02 -7.13 86.6 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.979 -0.901 . . . . 0.0 114.604 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.06 -33.93 33.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.202 1.501 . . . . 0.0 113.512 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -158.89 -18.18 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.55 -171.99 31.17 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.113 1.34 . . . . 0.0 114.423 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.72 -162.94 1.0 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.056 1.342 . . . . 0.0 111.246 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -62.44 -23.25 66.77 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.754 -1.216 . . . . 0.0 114.21 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.97 19.36 1.12 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.481 1.513 . . . . 0.0 114.393 -172.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 78.7 p -127.34 158.09 38.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.949 1.3 . . . . 0.0 112.29 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -126.62 144.58 50.85 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.076 2.151 . . . . 0.0 108.96 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -77.1 158.88 30.21 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.597 1.09 . . . . 0.0 109.458 168.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -61.81 -30.52 70.88 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.674 -1.891 . . . . 0.0 112.826 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -42.89 60.55 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.525 -1.36 . . . . 0.0 112.171 173.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -62.6 -38.69 91.13 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.03 1.332 . . . . 0.0 111.265 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.52 -42.1 98.47 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.165 1.386 . . . . 0.0 111.927 169.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -54.47 -43.86 72.07 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.938 1.245 . . . . 0.0 110.726 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.54 -40.61 93.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.665 0.786 . . . . 0.0 112.455 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.49 -48.02 78.04 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.329 -0.844 . . . . 0.0 111.063 170.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.8 -42.35 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.841 1.2 . . . . 0.0 111.193 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -60.28 -34.2 73.41 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.111 1.323 . . . . 0.0 112.677 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -86.91 -24.81 24.7 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -84.95 -52.42 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.165 1.786 . . . . 0.0 111.417 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -117.7 74.28 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.906 2.483 . . . . 0.0 107.791 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 54.4 m -70.43 95.1 1.02 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.617 1.167 . . . . 0.0 109.737 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.2 pt -59.96 144.13 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.264 1.825 . . . . 0.0 113.036 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.3 -12.01 82.02 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.233 0.921 . . . . 0.0 115.175 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 85.9 p -165.37 166.05 18.88 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.176 1.791 . . . . 0.0 111.324 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -68.93 -12.83 62.01 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.67 -22.79 66.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.568 1.147 . . . . 0.0 113.238 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -87.45 -5.92 58.63 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.841 1.256 . . . . 0.0 112.832 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.69 -39.82 74.5 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.384 -1.448 . . . . 0.0 112.498 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.01 70.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 112.679 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -80.73 -31.68 35.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.731 0.812 . . . . 0.0 111.613 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -70.97 -39.94 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.999 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.0 m -66.32 -28.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.981 1.264 . . . . 0.0 111.836 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -70.35 -46.63 63.73 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.874 0.87 . . . . 0.0 111.445 169.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.98 -44.4 82.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.047 0.939 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -62.13 -41.19 98.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.799 1.639 . . . . 0.0 112.678 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -73.68 -30.54 62.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.918 0.781 . . . . 0.0 112.807 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.5 -25.53 60.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.139 0.976 . . . . 0.0 112.568 170.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.62 -43.42 55.56 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.23 169.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.39 -9.91 57.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.44 1.496 . . . . 0.0 114.338 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -58.42 -20.51 45.22 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.279 1.032 . . . . 0.0 112.735 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -66.25 -18.1 65.15 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.782 1.633 . . . . 0.0 113.732 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -151.72 -122.12 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.715 2.006 . . . . 0.0 110.603 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -163.22 19.59 0.08 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.274 1.429 . . . . 0.0 114.81 -175.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -176.01 -24.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.655 1.582 . . . . 0.0 113.542 -170.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -155.76 151.72 27.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.849 1.26 . . . . 0.0 112.036 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 44.1 t -119.33 122.47 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.936 2.095 . . . . 0.0 108.823 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -89.68 153.17 20.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.106 0.962 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.45 -42.91 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.42 -43.16 95.23 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.371 0.532 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.97 -34.25 73.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.2 . . . . 0.0 111.911 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -58.56 -39.93 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.583 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.33 -36.85 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 121.194 -0.941 . . . . 0.0 112.349 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -59.71 -37.03 77.73 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.063 1.301 . . . . 0.0 111.332 171.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -68.55 -41.06 80.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.684 0.793 . . . . 0.0 112.194 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.38 -30.59 71.7 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.212 0.914 . . . . 0.0 112.235 171.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.5 -25.04 69.85 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-O 118.392 -1.227 . . . . 0.0 113.188 170.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.02 -50.36 9.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.337 1.568 . . . . 0.0 110.56 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.36 -48.1 62.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.651 1.18 . . . . 0.0 111.505 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.53 61.19 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.495 1.118 . . . . 0.0 113.24 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 12.9 ttt -80.72 -42.39 21.99 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.753 1.221 . . . . 0.0 111.639 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.51 -24.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.053 1.741 . . . . 0.0 111.546 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -55.13 -29.12 57.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.178 0.991 . . . . 0.0 112.505 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.253 7.3 p30 51.43 -50.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 1 C-N-CA 133.031 4.532 . . . . 0.0 118.068 169.687 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.17 -28.82 67.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.499 1.12 . . . . 0.0 111.33 172.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.91 77.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.442 1.097 . . . . 0.0 113.014 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.6 mt -67.42 -49.17 64.93 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.592 0.633 . . . . 0.0 110.439 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -63.89 -40.44 96.52 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.737 0.815 . . . . 0.0 112.836 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.552 2.025 . . . . 0.0 112.768 175.728 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -163.28 167.84 21.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.483 1.513 . . . . 0.0 111.46 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -146.67 131.98 4.23 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.082 1.325 . . . . 0.0 111.957 171.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.94 -29.97 68.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.637 1.175 . . . . 0.0 113.323 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 74.1 mtm -53.76 -30.24 43.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.808 1.243 . . . . 0.0 112.556 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -68.13 -17.94 64.5 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.08 -42.9 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.319 1.448 . . . . 0.0 109.284 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.3 -35.83 80.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.161 1.384 . . . . 0.0 112.074 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -67.7 -23.32 65.27 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.212 -0.93 . . . . 0.0 112.997 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -69.53 -23.61 63.61 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.974 -1.079 . . . . 0.0 112.999 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.48 -26.24 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.383 1.073 . . . . 0.0 111.107 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -53.9 -37.38 63.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.282 -0.886 . . . . 0.0 112.212 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.27 -2.96 58.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.178 1.791 . . . . 0.0 113.905 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -103.61 -28.82 11.49 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.629 1.571 . . . . 0.0 111.873 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -65.26 157.97 46.31 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.165 1.364 . . . . 0.0 113.078 173.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -91.17 162.29 14.72 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.132 1.373 . . . . 0.0 112.936 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.43 -14.95 32.37 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.217 1.407 . . . . 0.0 113.232 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -59.93 -27.36 66.71 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.587 1.155 . . . . 0.0 113.56 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 36.8 ttm -54.93 -53.71 52.15 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.914 0.886 . . . . 0.0 110.057 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -72.64 -24.48 61.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.522 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -36.32 83.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.435 1.471 . . . . 0.0 111.813 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 45.9 m -76.96 -44.89 29.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 112.348 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 82.1 mt -66.2 -45.36 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.017 0.371 . . . . 0.0 111.477 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 112.999 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -58.68 -49.79 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.997 -1.064 . . . . 0.0 112.142 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.612 0.765 . . . . 0.0 112.529 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -71.05 -32.96 69.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.722 1.209 . . . . 0.0 112.74 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 42.2 t -75.48 -45.19 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.143 1.377 . . . . 0.0 112.228 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.69 -0.5 51.03 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.135 1.374 . . . . 0.0 114.456 -169.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 73.6 p -76.77 -11.31 59.82 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.232 1.413 . . . . 0.0 113.122 -169.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.499 0.19 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -73.99 164.12 27.03 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.293 1.437 . . . . 0.0 111.723 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 141.52 -33.55 1.97 Allowed Glycine 0 N--CA 1.473 1.108 0 C-N-CA 124.86 1.219 . . . . 0.0 114.254 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.2 -37.48 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.638 1.175 . . . . 0.0 112.221 175.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -55.65 -30.84 61.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.613 1.565 . . . . 0.0 113.133 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.01 -25.8 64.68 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.611 1.096 . . . . 0.0 112.913 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.23 -36.85 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.229 1.411 . . . . 0.0 109.781 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 58.0 mt -72.1 -24.55 61.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.934 1.693 . . . . 0.0 113.07 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.38 -29.43 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.13 -0.982 . . . . 0.0 112.319 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -64.82 -19.71 66.0 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.379 -0.826 . . . . 0.0 113.066 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.75 -45.67 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.419 1.488 . . . . 0.0 110.756 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -51.54 -41.95 61.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.596 1.158 . . . . 0.0 113.293 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.58 -5.33 56.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.767 1.227 . . . . 0.0 113.927 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -110.96 -38.94 4.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.666 1.586 . . . . 0.0 114.266 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.79 139.7 20.26 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 115.699 1.039 . . . . 0.0 115.699 -169.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -153.97 44.16 0.57 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.126 2.17 . . . . 0.0 109.854 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.38 -168.56 1.74 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.594 1.958 . . . . 0.0 114.728 -169.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.66 -24.56 57.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -61.62 -37.67 84.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.361 0.982 . . . . 0.0 111.119 173.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -65.42 -25.53 67.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.639 -1.288 . . . . 0.0 111.564 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -78.5 -42.6 29.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.531 1.133 . . . . 0.0 111.895 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 70.5 p -69.87 -38.38 76.39 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.682 1.128 . . . . 0.0 111.895 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 25.4 mm -61.79 -42.45 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.562 1.145 . . . . 0.0 111.86 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.45 -47.42 84.05 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.079 0.854 . . . . 0.0 111.247 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.87 -48.2 82.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.252 -0.905 . . . . 0.0 112.348 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.31 74.05 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -73.45 -39.98 64.55 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.921 0.888 . . . . 0.0 111.602 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.52 -42.57 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.225 1.01 . . . . 0.0 110.863 174.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -68.61 -10.39 55.69 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.475 1.91 . . . . 0.0 113.719 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 23.9 m -89.08 -9.22 51.93 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.257 1.023 . . . . 0.0 113.581 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.323 1.449 . . . . 0.0 113.331 -174.824 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 117.331 -1.319 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.15 -15.94 0.38 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 128.034 2.534 . . . . 0.0 115.313 172.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -40.9 -51.39 7.25 Favored Pre-proline 0 CA--C 1.547 0.837 0 N-CA-C 117.306 2.335 . . . . 0.0 117.306 -169.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.51 -34.65 14.94 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.707 1.605 . . . . 0.0 112.49 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.4 tp -75.86 -39.48 56.47 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.107 0.867 . . . . 0.0 111.46 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.6 -38.77 90.42 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.06 0.544 . . . . 0.0 110.874 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -69.61 -31.02 68.9 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.494 -0.754 . . . . 0.0 112.725 172.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.86 69.47 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.875 1.216 . . . . 0.0 112.545 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 pt -63.22 -30.43 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 118.931 0.787 . . . . 0.0 111.001 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -33.71 87.98 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.88 1.229 . . . . 0.0 113.255 172.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.99 62.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.225 1.012 . . . . 0.0 110.105 173.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.07 -39.56 78.83 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.488 1.115 . . . . 0.0 112.369 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.68 -52.14 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.549 1.068 . . . . 0.0 110.43 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.55 -31.93 71.08 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.471 -0.627 . . . . 0.0 113.389 -175.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -68.23 -37.49 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.309 1.054 . . . . 0.0 112.473 172.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -80.12 -50.82 9.78 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.777 0.717 . . . . 0.0 112.019 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -68.39 -26.74 65.71 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -62.83 -33.11 74.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.33 -0.856 . . . . 0.0 112.813 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -80.44 -37.54 31.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.187 0.995 . . . . 0.0 111.997 172.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.8 m -56.43 -43.16 79.14 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.254 0.934 . . . . 0.0 113.453 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.94 -5.99 54.59 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 119.06 -0.856 . . . . 0.0 115.072 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -78.49 -44.76 23.69 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.099 1.45 . . . . 0.0 113.043 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -152.3 -3.6 0.25 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.41 -171.57 48.15 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 119.908 1.231 . . . . 0.0 113.71 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.36 -142.79 0.06 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.964 1.305 . . . . 0.0 110.837 174.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -57.09 -52.61 64.6 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.377 -1.452 . . . . 0.0 112.049 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.03 49.24 0.64 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.112 1.765 . . . . 0.0 112.417 -169.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -123.42 162.58 22.53 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.555 1.542 . . . . 0.0 111.096 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.4 mt -128.61 137.52 51.73 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.239 1.416 . . . . 0.0 109.639 169.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.9 p -77.73 164.53 25.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.74 -1.225 . . . . 0.0 109.246 169.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -56.86 -35.08 68.46 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.481 -1.387 . . . . 0.0 112.643 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.64 -43.6 72.31 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.942 -1.099 . . . . 0.0 112.836 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.92 -35.42 78.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.402 -0.811 . . . . 0.0 112.175 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.05 -40.23 78.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.027 1.731 . . . . 0.0 110.755 172.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -57.27 -46.53 82.99 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.613 -1.305 . . . . 0.0 111.31 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -60.12 -36.59 77.81 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.18 0.992 . . . . 0.0 112.217 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.51 -52.73 56.32 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 110.705 169.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.3 mt -57.3 -46.95 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.789 1.177 . . . . 0.0 112.064 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.02 -34.35 76.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.424 0.557 . . . . 0.0 112.416 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.38 7.2 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 176.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.92 -14.27 42.35 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.117 1.367 . . . . 0.0 114.119 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -120.13 43.78 2.6 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 167.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.0 m -16.71 103.39 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.872 1 C-N-CA 131.911 4.084 . . . . 0.0 114.707 -169.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mt -95.92 -41.55 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.284 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.69 8.1 84.01 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.755 1.169 . . . . 0.0 114.573 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 t -167.81 160.21 12.28 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.589 1.955 . . . . 0.0 110.829 -173.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.25 6.15 49.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.354 1.062 . . . . 0.0 113.076 170.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.17 -39.65 60.35 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.009 1.323 . . . . 0.0 113.168 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -92.92 2.16 56.93 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.475 1.11 . . . . 0.0 113.694 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.5 -26.31 68.47 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.165 -1.584 . . . . 0.0 114.139 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.9 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.466 1.106 . . . . 0.0 113.557 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -80.78 -38.11 29.08 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 109.516 169.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.7 mm -61.64 -42.4 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.018 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.8 m -64.32 -28.13 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.56 1.527 . . . . 0.0 112.867 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -74.6 -31.86 62.17 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.312 0.96 . . . . 0.0 113.084 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.95 -36.18 72.47 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.028 -1.045 . . . . 0.0 111.838 171.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 mtp -62.19 -39.38 92.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.929 1.292 . . . . 0.0 112.163 171.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.99 -32.98 73.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.837 0.855 . . . . 0.0 112.386 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.77 -33.64 52.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 112.784 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.56 -48.11 65.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -77.96 -7.16 56.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.906 0.882 . . . . 0.0 112.525 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -55.21 -28.83 55.86 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.622 1.101 . . . . 0.0 112.713 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -82.98 -2.96 56.58 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -143.81 -29.25 0.51 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 62.73 19.27 11.29 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.944 2.498 . . . . 0.0 113.546 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -148.62 -82.75 0.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.865 1.666 . . . . 0.0 109.528 -169.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -128.79 141.64 51.24 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.289 2.235 . . . . 0.0 108.42 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -79.88 106.79 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.91 1.284 . . . . 0.0 108.677 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -80.33 157.94 26.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 111.652 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.43 -42.61 87.66 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -169.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 -40.93 90.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.559 1.072 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -66.77 -36.32 82.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.235 1.414 . . . . 0.0 112.097 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.53 -42.16 87.14 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.81 0.844 . . . . 0.0 111.331 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.32 -40.55 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.237 -0.914 . . . . 0.0 111.686 177.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -54.49 -41.17 69.26 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.633 1.106 . . . . 0.0 111.536 170.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -39.33 76.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.31 -28.96 68.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.535 1.061 . . . . 0.0 111.696 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.8 -34.57 90.25 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.063 0.839 . . . . 0.0 113.42 169.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.57 -44.37 57.51 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.777 1.289 . . . . 0.0 111.834 170.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.15 -45.32 79.68 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.247 1.019 . . . . 0.0 110.903 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.87 69.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.053 1.341 . . . . 0.0 113.821 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.12 -34.26 43.54 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 112.661 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.08 -33.62 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.764 0.826 . . . . 0.0 110.679 171.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -70.91 43.92 0.08 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.352 1.461 . . . . 0.0 111.798 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -52.44 -22.29 4.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.016 2.526 . . . . 0.0 117.466 -168.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.73 -22.06 66.9 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 120.775 1.625 . . . . 0.0 112.825 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.57 -53.21 9.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.935 1.694 . . . . 0.0 111.774 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.2 tp -78.68 46.29 0.65 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.771 2.028 . . . . 0.0 111.911 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -153.58 -27.07 0.14 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.331 1.452 . . . . 0.0 113.208 -169.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.228 0 CA-C-O 117.638 -1.645 . . . . 0.0 113.215 177.225 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.19 77.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.05 -37.52 33.48 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -59.25 -39.17 80.71 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.046 2.498 . . . . 0.0 113.896 169.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -76.32 -40.91 50.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.952 0.796 . . . . 0.0 111.711 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.87 -37.42 84.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.12 1.368 . . . . 0.0 112.271 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -76.32 -20.86 56.86 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.83 -48.12 12.87 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.474 1.034 . . . . 0.0 112.045 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 pt -63.36 -32.33 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.088 -1.008 . . . . 0.0 110.65 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.84 70.28 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.789 1.185 . . . . 0.0 113.914 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -50.52 34.24 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.791 1.295 . . . . 0.0 110.015 171.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.31 -42.39 81.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.809 0.843 . . . . 0.0 111.251 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.28 -45.66 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 CA-C-N 118.816 0.734 . . . . 0.0 111.08 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.73 -33.5 86.15 Favored Glycine 0 N--CA 1.47 0.935 0 C-N-CA 124.523 1.059 . . . . 0.0 112.877 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mt -72.15 -57.39 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 117.893 0.847 . . . . 0.0 109.879 169.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.48 -51.11 68.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.467 0.707 . . . . 0.0 112.841 -173.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -70.81 -25.6 62.93 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -172.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.52 -41.77 99.06 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.442 -0.786 . . . . 0.0 111.363 169.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -81.33 -43.85 18.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.3 p -65.63 -26.14 67.69 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.098 1.772 . . . . 0.0 112.851 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.99 -2.54 58.25 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.828 1.204 . . . . 0.0 115.231 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.32 -40.17 81.76 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.936 1.368 . . . . 0.0 113.011 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -82.71 -22.48 34.48 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.87 -166.5 31.94 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.895 1.236 . . . . 0.0 113.224 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 103.28 1.25 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.313 1.045 . . . . 0.0 111.054 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -146.44 170.46 16.8 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.66 1.584 . . . . 0.0 113.292 -169.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -139.12 21.37 2.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.57 1.948 . . . . 0.0 112.977 172.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -143.31 141.05 30.85 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.268 2.227 . . . . 0.0 109.655 -173.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.3 131.58 39.78 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.668 1.187 . . . . 0.0 111.079 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.5 t -78.78 150.99 32.24 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.555 -0.715 . . . . 0.0 109.981 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -57.84 -34.66 69.94 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.22 -1.55 . . . . 0.0 114.136 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -74.62 -30.77 61.78 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.57 1.548 . . . . 0.0 113.496 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.33 -38.01 63.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.847 2.059 . . . . 0.0 109.852 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.23 -43.63 98.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.537 1.535 . . . . 0.0 109.719 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -62.38 -29.26 70.35 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.675 -1.266 . . . . 0.0 112.497 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -50.04 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.147 1.379 . . . . 0.0 110.916 169.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.17 -50.97 57.96 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.903 1.281 . . . . 0.0 111.049 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.4 -53.82 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.327 0.512 . . . . 0.0 111.349 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -65.86 -23.8 66.74 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -86.7 -51.35 6.17 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -86.69 -41.05 14.5 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.611 0.764 . . . . 0.0 112.847 -172.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.61 -41.22 10.33 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.575 0.75 . . . . 0.0 110.313 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p 78.05 154.33 0.15 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 130.53 3.532 . . . . 0.0 112.276 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 tp -77.28 134.26 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 C-N-CA 123.946 0.898 . . . . 0.0 111.911 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.1 -32.47 35.58 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 123.793 0.711 . . . . 0.0 113.67 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.1 p -176.51 161.2 2.14 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.457 2.303 . . . . 0.0 109.883 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -60.4 -36.65 78.62 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.442 -1.411 . . . . 0.0 113.42 -171.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -11.31 59.87 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -75.54 -19.31 59.41 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.727 0.811 . . . . 0.0 111.954 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.76 -27.11 69.06 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.294 -0.879 . . . . 0.0 112.631 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.62 69.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.704 1.202 . . . . 0.0 112.751 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -81.54 -37.19 28.18 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.836 0.854 . . . . 0.0 111.361 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -61.35 -43.65 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.846 0.748 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.85 -26.93 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.945 0.793 . . . . 0.0 112.097 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -79.04 -34.68 43.6 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.134 0.879 . . . . 0.0 112.091 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -43.34 87.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.993 -1.067 . . . . 0.0 110.373 170.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -58.26 -40.95 83.17 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.362 1.065 . . . . 0.0 111.476 171.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.39 -34.66 78.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.703 1.201 . . . . 0.0 113.262 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.76 -18.36 59.57 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -81.44 -47.56 13.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 110.025 168.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.36 -12.36 20.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.175 2.19 . . . . 0.0 113.431 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.03 -25.08 65.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.575 1.95 . . . . 0.0 112.837 169.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -69.98 -40.08 75.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.872 0.869 . . . . 0.0 112.64 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.51 131.4 2.62 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.784 2.034 . . . . 0.0 109.57 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -68.97 29.27 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 -168.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -156.27 -51.93 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.008 -1.058 . . . . 0.0 110.978 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -138.97 135.91 34.84 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 110.334 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.15 119.08 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.303 2.241 . . . . 0.0 108.557 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -77.85 160.44 28.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 111.659 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.87 -47.07 68.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.716 1.206 . . . . 0.0 114.224 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.34 -30.95 70.91 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.512 -0.743 . . . . 0.0 112.373 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -74.32 -38.73 63.22 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.365 1.066 . . . . 0.0 110.859 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -59.98 -44.72 94.31 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -68.67 -34.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.266 -0.896 . . . . 0.0 112.289 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.7 m -62.24 -40.36 95.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.671 1.123 . . . . 0.0 111.089 173.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.29 -38.93 85.82 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.245 0.618 . . . . 0.0 112.156 172.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.59 -22.09 66.71 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.344 -0.847 . . . . 0.0 112.606 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.79 -38.23 92.89 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 119.871 1.214 . . . . 0.0 112.158 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -40.63 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.94 0.87 . . . . 0.0 111.677 169.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.54 -15.55 63.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.793 0.837 . . . . 0.0 113.105 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.62 -45.2 16.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.503 1.121 . . . . 0.0 109.379 168.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 ttm -67.34 -25.86 66.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.948 1.299 . . . . 0.0 113.892 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.97 -29.61 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.114 0.87 . . . . 0.0 112.385 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.34 53.06 0.81 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.72 1.608 . . . . 0.0 111.584 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -42.48 -36.75 1.41 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.9 2.88 . . . . 0.0 115.881 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.86 -27.33 62.8 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.249 0.932 . . . . 0.0 113.22 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.79 65.17 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.979 -1.076 . . . . 0.0 112.12 169.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.32 16.28 18.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.627 1.971 . . . . 0.0 112.111 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -116.53 -43.61 2.91 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 168.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.232 0 C-N-CA 125.511 1.529 . . . . 0.0 113.815 -179.617 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 51.78 -165.39 0.06 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.973 2.509 . . . . 0.0 115.107 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.42 -12.16 84.11 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.71 1.148 . . . . 0.0 114.482 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.13 -68.05 0.22 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.157 1.383 . . . . 0.0 111.038 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 26.2 mmt -59.47 -27.95 66.57 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.364 -0.835 . . . . 0.0 112.584 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -66.67 -18.91 65.62 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 55.1 t -96.65 -32.97 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.65 1.18 . . . . 0.0 109.923 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.71 -30.82 70.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.295 1.438 . . . . 0.0 111.894 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.63 -30.16 60.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.391 1.076 . . . . 0.0 112.862 172.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -65.28 -22.8 66.89 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.187 -0.946 . . . . 0.0 113.084 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 54.5 mt -87.9 -43.52 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.008 1.323 . . . . 0.0 110.522 169.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -50.73 -42.24 57.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.262 1.025 . . . . 0.0 113.561 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.68 -10.06 59.35 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -110.45 14.02 22.64 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.181 2.192 . . . . 0.0 112.054 172.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -60.97 151.06 42.36 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.363 1.459 . . . . 0.0 116.513 -169.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.83 161.36 21.19 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.699 2.399 . . . . 0.0 115.401 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -112.89 -2.23 14.38 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.891 2.077 . . . . 0.0 113.756 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -91.39 -28.44 17.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.878 1.217 . . . . 0.0 113.294 170.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 39.1 ttm -50.23 -48.58 54.46 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.298 1.439 . . . . 0.0 111.386 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -56.38 -37.16 69.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.709 0.804 . . . . 0.0 112.936 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -74.1 -37.83 64.04 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.774 0.83 . . . . 0.0 111.096 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 92.9 m -73.73 -37.27 65.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.884 1.273 . . . . 0.0 111.877 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.03 -47.53 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.894 0.878 . . . . 0.0 110.429 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.16 -37.8 84.18 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 122.001 -0.437 . . . . 0.0 112.012 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -63.96 -57.18 10.51 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.685 0.794 . . . . 0.0 111.966 170.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -51.31 -25.66 6.25 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.488 1.915 . . . . 0.0 114.255 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -67.19 -27.66 67.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.413 1.485 . . . . 0.0 112.931 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 59.4 t -90.3 -26.76 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.71 2.004 . . . . 0.0 112.833 -174.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -66.61 -0.04 2.6 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 -169.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 8.7 m -72.02 -16.3 62.05 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.487 -1.383 . . . . 0.0 112.519 170.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.917 2.087 . . . . 0.0 112.95 -174.213 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -117.23 142.34 47.17 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.841 1.257 . . . . 0.0 110.839 -170.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -90.32 19.51 42.99 Favored Glycine 0 N--CA 1.474 1.223 0 C-N-CA 125.135 1.35 . . . . 0.0 115.074 -175.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 pp -52.72 -40.5 63.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.378 1.471 . . . . 0.0 113.977 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -26.42 49.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.928 1.291 . . . . 0.0 113.598 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -71.37 -17.29 62.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.101 0.96 . . . . 0.0 113.51 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 52.3 t -97.3 -38.54 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.121 1.368 . . . . 0.0 109.528 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.52 -35.28 79.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.053 1.341 . . . . 0.0 111.769 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -55.78 -34.3 65.14 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.345 1.058 . . . . 0.0 112.496 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.43 -15.2 63.54 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 21.7 mm -90.86 -46.85 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 110.244 169.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.81 -38.44 67.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.75 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -1.17 9.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -174.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.56 -22.58 63.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.499 1.12 . . . . 0.0 113.07 170.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 127.83 159.74 10.18 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.956 1.741 . . . . 0.0 113.23 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.66 27.48 0.44 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.079 1.352 . . . . 0.0 113.619 -170.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.9 -50.71 65.45 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.063 -1.023 . . . . 0.0 112.014 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.6 -26.29 68.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.379 1.071 . . . . 0.0 113.407 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 46.9 tpp -58.46 -46.8 85.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.449 1.1 . . . . 0.0 110.586 172.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.7 -29.6 65.94 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.426 -0.796 . . . . 0.0 112.605 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.37 -30.52 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.239 1.382 . . . . 0.0 112.506 172.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 87.4 m -73.11 -49.91 25.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.497 1.519 . . . . 0.0 110.863 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 68.8 mt -75.64 -41.83 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.23 -172.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -53.05 -44.44 67.44 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.166 1.348 . . . . 0.0 112.558 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -69.59 -11.8 61.13 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.67 10.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.25 1.02 . . . . 0.0 110.612 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -68.48 -37.63 80.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.349 1.46 . . . . 0.0 112.273 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.28 -34.62 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.908 1.683 . . . . 0.0 113.952 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -63.96 -23.8 67.48 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.592 1.557 . . . . 0.0 112.872 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 18.3 t -91.81 111.39 22.9 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.045 -1.034 . . . . 0.0 110.566 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.76 2.024 . . . . 0.0 112.647 -175.092 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.23 -44.45 12.88 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -171.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -58.03 -31.42 10.07 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -175.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.61 -43.21 28.09 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.574 2.183 . . . . 0.0 113.021 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.75 -45.14 53.77 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 118.797 0.726 . . . . 0.0 111.385 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -63.3 -33.37 75.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.604 0.761 . . . . 0.0 112.386 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.55 -34.89 60.76 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.562 -0.711 . . . . 0.0 112.351 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.82 78.69 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.375 0.989 . . . . 0.0 112.108 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt -66.51 -25.92 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.319 -0.863 . . . . 0.0 111.817 172.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.43 82.11 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.753 1.168 . . . . 0.0 113.4 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -50.74 71.89 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.143 1.377 . . . . 0.0 109.841 175.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.02 -39.56 86.27 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.393 1.077 . . . . 0.0 112.233 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -64.82 -44.13 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.216 1.371 . . . . 0.0 110.862 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.53 -26.38 71.88 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 119.566 -0.574 . . . . 0.0 113.478 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.9 mt -73.24 -47.58 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.528 1.164 . . . . 0.0 110.831 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -59.01 3.1 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.295 1.038 . . . . 0.0 112.574 -174.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -68.2 -20.66 64.87 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.8 -45.41 74.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.776 1.23 . . . . 0.0 111.483 169.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.07 -40.26 20.11 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -67.7 -53.08 30.49 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.036 0.834 . . . . 0.0 111.802 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.05 46.64 2.67 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.922 1.725 . . . . 0.0 111.369 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -56.62 -33.81 66.63 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.09 0.945 . . . . 0.0 113.002 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -104.35 14.87 29.4 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.921 1.288 . . . . 0.0 112.022 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.88 12.3 68.85 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.34 1.448 . . . . 0.0 113.675 -172.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -93.3 -163.75 1.09 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 127.153 2.181 . . . . 0.0 115.321 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -58.48 149.91 23.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.234 2.214 . . . . 0.0 115.619 -169.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -74.29 51.69 0.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.395 2.278 . . . . 0.0 114.705 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.1 t -142.77 150.95 40.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.113 1.365 . . . . 0.0 111.51 174.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.19 132.73 56.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.111 1.764 . . . . 0.0 110.045 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -77.88 163.3 26.16 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 168.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -54.86 -28.65 51.61 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.485 -1.384 . . . . 0.0 114.2 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -80.87 -42.45 21.49 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 170.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.41 -34.68 77.23 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.294 1.406 . . . . 0.0 111.333 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.33 -48.62 80.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.121 1.768 . . . . 0.0 110.954 170.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -61.5 -35.82 78.75 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.974 -1.079 . . . . 0.0 112.714 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -63.1 -40.21 96.99 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.716 1.144 . . . . 0.0 111.463 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.1 -53.84 53.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.668 0.667 . . . . 0.0 110.52 170.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.15 -42.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 118.519 0.6 . . . . 0.0 111.897 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.74 -33.7 76.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -86.4 -33.72 20.39 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.68 1.127 . . . . 0.0 113.594 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -83.91 -49.24 9.19 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.172 0.589 . . . . 0.0 112.109 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.4 mt -113.39 38.82 2.77 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.244 1.818 . . . . 0.0 110.461 -173.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.1 m -45.88 116.08 1.13 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.693 2.397 . . . . 0.0 113.995 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -91.63 -14.44 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 125.278 1.431 . . . . 0.0 113.096 169.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.03 177.65 46.21 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.386 1.47 . . . . 0.0 113.284 -175.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -79.87 85.68 5.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.172 0.989 . . . . 0.0 111.234 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -158.55 176.83 11.92 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.018 1.327 . . . . 0.0 113.32 -174.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.63 -8.3 13.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -66.97 -8.93 33.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.922 0.889 . . . . 0.0 112.965 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.05 -25.99 59.59 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.685 -1.26 . . . . 0.0 112.066 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.07 68.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.024 1.33 . . . . 0.0 113.118 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.49 -35.41 34.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.967 0.907 . . . . 0.0 111.15 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -67.72 -39.04 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.966 0.803 . . . . 0.0 111.573 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 m -65.9 -29.97 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.575 1.08 . . . . 0.0 111.72 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.23 -37.31 61.14 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.274 -0.891 . . . . 0.0 111.946 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 tp -63.76 -41.29 98.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.662 0.664 . . . . 0.0 111.069 173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.31 -38.28 79.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.137 0.975 . . . . 0.0 112.042 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.32 -38.0 89.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.657 1.117 . . . . 0.0 112.761 172.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -72.9 -24.65 60.86 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.233 0.924 . . . . 0.0 113.185 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.51 -47.45 22.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.964 1.706 . . . . 0.0 111.943 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -21.89 63.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.811 2.045 . . . . 0.0 112.956 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -52.11 -34.95 46.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.6 1.56 . . . . 0.0 112.712 170.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.64 -35.84 65.34 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.874 0.869 . . . . 0.0 112.163 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -166.41 129.57 1.97 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.561 1.944 . . . . 0.0 110.436 171.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.86 137.74 43.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.246 1.019 . . . . 0.0 113.105 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 76.88 -43.36 0.44 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.362 3.065 . . . . 0.0 112.837 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -133.58 117.15 16.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.985 1.714 . . . . 0.0 110.079 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.2 t -101.33 104.62 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.332 1.853 . . . . 0.0 108.688 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -78.79 164.87 24.17 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.853 0.835 . . . . 0.0 110.616 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -32.44 68.94 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -170.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -61.2 -49.52 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 119.015 -0.516 . . . . 0.0 111.111 174.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -69.32 -34.34 74.51 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.217 1.007 . . . . 0.0 112.161 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.23 -46.42 89.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.982 0.513 . . . . 0.0 111.592 173.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -74.03 -31.05 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.222 -0.924 . . . . 0.0 111.565 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -58.37 -44.74 89.0 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.023 0.829 . . . . 0.0 110.732 171.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.11 -37.9 88.94 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.472 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.07 -29.01 69.86 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 174.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.91 84.4 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 118.633 0.651 . . . . 0.0 112.298 170.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.22 88.9 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 117.831 0.815 . . . . 0.0 112.712 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.02 -43.89 97.49 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.77 1.628 . . . . 0.0 111.138 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.58 75.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.693 0.797 . . . . 0.0 112.084 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.1 mtp -68.1 -18.5 64.67 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.84 -37.39 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.222 1.374 . . . . 0.0 110.138 169.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -78.97 51.66 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.652 1.581 . . . . 0.0 113.007 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -43.91 -38.58 3.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.08 2.152 . . . . 0.0 115.644 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.93 -29.82 70.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.26 0.937 . . . . 0.0 113.262 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.92 78.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.377 1.471 . . . . 0.0 112.397 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -67.22 -50.07 62.16 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.607 1.163 . . . . 0.0 111.111 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -84.5 -25.05 29.11 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 C-N-CA 126.056 1.789 . . . . 0.0 114.511 175.836 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.516 0.198 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.18 55.13 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.79 1.636 . . . . 0.0 114.52 -173.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -47.27 88.92 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.316 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -53.02 -38.95 80.79 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.932 3.088 . . . . 0.0 114.632 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -73.63 -42.76 61.01 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.455 1.025 . . . . 0.0 111.842 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.84 -40.16 87.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.354 1.462 . . . . 0.0 112.433 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -73.74 -18.8 60.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -50.05 10.85 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 111.62 172.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.2 pt -65.59 -29.24 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 O-C-N 121.019 -1.051 . . . . 0.0 111.738 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.754 1.169 . . . . 0.0 113.32 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.87 66.93 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.797 1.298 . . . . 0.0 109.744 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -40.26 84.63 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.419 1.088 . . . . 0.0 111.279 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.34 -49.22 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.692 0.797 . . . . 0.0 111.433 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.3 73.31 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.208 0.909 . . . . 0.0 113.635 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.11 -50.27 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.67 1.188 . . . . 0.0 111.448 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -70.17 -55.9 8.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.844 1.202 . . . . 0.0 113.201 -171.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -68.37 -22.25 64.66 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.25 -41.87 76.46 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.709 1.603 . . . . 0.0 112.418 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -80.97 -31.18 34.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.412 1.085 . . . . 0.0 112.652 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.8 m -58.91 -45.85 89.3 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.901 -1.125 . . . . 0.0 112.319 173.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.3 -13.06 61.93 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.092 0.854 . . . . 0.0 114.197 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -72.58 -32.52 66.07 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.65 1.225 . . . . 0.0 112.595 176.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -104.28 -8.31 19.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.684 1.194 . . . . 0.0 113.13 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.59 17.24 34.08 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.975 1.274 . . . . 0.0 114.25 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -79.97 146.32 32.12 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.611 1.164 . . . . 0.0 112.177 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -75.87 -39.61 56.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.157 0.983 . . . . 0.0 112.907 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -167.79 39.07 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.507 1.923 . . . . 0.0 112.979 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -140.73 154.84 46.49 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.541 1.936 . . . . 0.0 109.75 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.4 143.05 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.338 1.455 . . . . 0.0 110.053 169.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.9 p -77.02 159.85 29.58 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.385 -0.822 . . . . 0.0 109.928 169.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -55.49 -31.5 62.07 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.548 -1.345 . . . . 0.0 113.266 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 tmpt? -76.64 -42.73 40.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.511 1.124 . . . . 0.0 112.472 173.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -70.48 -31.91 69.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.911 -1.118 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.35 -51.77 67.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.612 1.565 . . . . 0.0 111.088 169.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.081 -1.012 . . . . 0.0 112.058 176.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.1 -44.55 95.38 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.995 0.816 . . . . 0.0 112.029 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.81 -49.03 76.59 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.011 0.823 . . . . 0.0 110.69 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.07 -50.28 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.07 0.85 . . . . 0.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -59.42 -39.72 84.41 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 112.344 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -85.86 -38.42 18.11 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -84.88 -47.82 9.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.328 0.967 . . . . 0.0 112.5 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.5 mt -87.38 55.9 3.72 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -26.36 101.13 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 130.584 3.554 . . . . 0.0 113.298 -169.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 tt -76.87 150.75 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.865 1.266 . . . . 0.0 113.04 -169.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.76 157.94 38.38 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.076 0.846 . . . . 0.0 112.619 172.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 41.8 m -78.9 63.46 3.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.901 1.28 . . . . 0.0 111.719 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -157.51 -172.69 4.07 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.554 1.542 . . . . 0.0 113.291 -169.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.1 -6.18 16.42 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.779 2.032 . . . . 0.0 114.716 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -47.49 -34.26 7.22 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.059 1.744 . . . . 0.0 113.738 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.37 -25.22 67.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.41 68.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.559 0.744 . . . . 0.0 112.336 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.73 -37.22 30.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.618 0.767 . . . . 0.0 110.664 170.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.2 mm -65.43 -38.99 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-O 117.825 -1.083 . . . . 0.0 112.025 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -66.55 -28.51 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 120.416 1.462 . . . . 0.0 112.413 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -74.45 -33.97 63.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.316 0.962 . . . . 0.0 112.478 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.78 -37.3 76.31 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.032 -1.043 . . . . 0.0 111.903 171.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -61.44 -40.48 94.62 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.367 1.067 . . . . 0.0 111.577 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.46 -34.13 77.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.5 1.12 . . . . 0.0 112.587 172.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.83 -17.96 52.01 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.149 -0.969 . . . . 0.0 113.395 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -80.65 -42.69 21.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.091 1.356 . . . . 0.0 110.209 169.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.49 -30.09 69.49 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.186 1.794 . . . . 0.0 112.533 169.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.01 -29.78 70.51 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.799 1.24 . . . . 0.0 111.81 171.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -81.49 -28.17 34.2 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.71 123.16 3.64 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.452 1.501 . . . . 0.0 112.636 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.79 132.93 49.09 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.396 1.478 . . . . 0.0 114.276 -171.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 76.77 -37.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 129.563 3.145 . . . . 0.0 113.548 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -153.85 128.72 9.49 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.873 1.669 . . . . 0.0 109.994 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.33 118.14 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.085 1.754 . . . . 0.0 109.368 -170.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.35 151.66 30.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.849 1.26 . . . . 0.0 110.855 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -51.32 -39.98 58.09 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -62.02 -43.95 97.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 111.548 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -72.97 -29.53 63.14 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.765 1.226 . . . . 0.0 111.58 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -64.78 -46.14 83.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.987 0.915 . . . . 0.0 110.824 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.39 -35.61 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.203 -0.935 . . . . 0.0 111.912 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.8 m -58.94 -45.53 90.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.571 1.149 . . . . 0.0 110.409 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -64.02 -42.14 97.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.264 0.626 . . . . 0.0 112.26 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.12 -26.23 68.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.378 0.99 . . . . 0.0 112.453 173.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.16 94.49 Favored Glycine 0 N--CA 1.468 0.827 0 C-N-CA 124.324 0.964 . . . . 0.0 112.316 170.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.2 95.1 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 117.943 0.872 . . . . 0.0 112.021 170.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.4 -44.65 92.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.214 1.006 . . . . 0.0 111.697 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.2 96.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.185 0.994 . . . . 0.0 111.754 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.2 ttp -66.74 -31.7 72.52 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.16 -21.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.873 0.869 . . . . 0.0 112.446 171.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -75.87 43.63 0.28 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.259 0.936 . . . . 0.0 112.602 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -44.94 -26.81 0.46 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.933 2.493 . . . . 0.0 116.503 -173.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.99 -32.7 68.14 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 121.428 1.922 . . . . 0.0 112.896 173.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.3 -16.94 62.48 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.302 1.441 . . . . 0.0 113.607 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 73.0 mt -101.57 -10.86 19.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.156 2.182 . . . . 0.0 112.648 176.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -97.9 -37.35 9.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.117 1.367 . . . . 0.0 112.285 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.337 0 C-N-CA 125.769 1.652 . . . . 0.0 114.05 179.194 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -123.65 146.05 48.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.364 1.066 . . . . 0.0 110.838 -170.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -70.58 -7.28 60.8 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.478 1.037 . . . . 0.0 115.123 -172.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.99 -33.56 62.66 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.069 1.348 . . . . 0.0 112.601 174.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.32 4.54 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 125.275 1.43 . . . . 0.0 113.734 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -76.18 -13.29 60.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.515 1.052 . . . . 0.0 113.838 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.45 -30.81 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.508 1.523 . . . . 0.0 109.609 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.73 -33.62 60.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.048 2.139 . . . . 0.0 111.273 171.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.95 -34.49 55.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.83 1.652 . . . . 0.0 112.363 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -52.72 -33.7 49.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.539 1.136 . . . . 0.0 112.433 175.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.98 -35.66 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.26 1.824 . . . . 0.0 111.877 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.84 -40.18 83.45 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.941 -1.099 . . . . 0.0 112.156 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -76.06 -1.24 24.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -92.01 -47.18 7.42 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.78 0.832 . . . . 0.0 110.786 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 67.62 -169.98 36.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.166 1.365 . . . . 0.0 114.376 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -165.33 149.73 8.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.822 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -83.12 -27.14 30.37 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.21 1.404 . . . . 0.0 114.376 -175.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.65 -21.52 19.98 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.309 0.959 . . . . 0.0 113.532 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 44.7 ttm -50.25 -62.95 1.28 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.61 1.164 . . . . 0.0 110.775 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -57.39 -32.52 66.9 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.671 1.189 . . . . 0.0 113.753 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -71.76 -38.31 70.39 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.769 0.827 . . . . 0.0 111.676 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 51.2 m -82.34 -34.48 28.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.235 1.414 . . . . 0.0 112.829 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.68 -47.54 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.0 0.818 . . . . 0.0 109.101 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.43 -48.95 78.84 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -63.04 -39.31 94.37 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.752 -1.218 . . . . 0.0 112.227 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.63 -31.07 71.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.685 1.194 . . . . 0.0 113.535 174.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -70.16 -45.53 66.53 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.627 0.771 . . . . 0.0 111.527 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.76 -27.37 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -169.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.72 -21.62 66.08 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -170.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 33.8 p -101.41 139.64 36.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.601 1.16 . . . . 0.0 112.5 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 96.8 mtm-85 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.243 1.417 . . . . 0.0 112.519 176.173 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.703 0.287 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -68.95 146.48 52.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.031 1.333 . . . . 0.0 111.463 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -77.58 37.75 1.64 Allowed Glycine 0 N--CA 1.474 1.196 0 C-N-CA 125.543 1.544 . . . . 0.0 115.465 -172.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.49 -48.4 77.22 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 1.141 . . . . 0.0 111.914 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -62.47 -29.15 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.939 1.295 . . . . 0.0 113.105 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -71.63 -18.12 62.22 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.18 -44.3 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.125 1.37 . . . . 0.0 110.01 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.52 -32.89 74.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.021 1.328 . . . . 0.0 112.646 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -64.41 -25.77 68.16 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.177 -0.952 . . . . 0.0 112.958 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -67.35 -19.08 65.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.71 0.804 . . . . 0.0 112.92 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.0 mt -86.77 -46.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.631 1.172 . . . . 0.0 110.073 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.94 -38.26 72.67 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.77 -1.54 9.51 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.54 -19.16 60.98 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.368 1.067 . . . . 0.0 112.962 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 123.39 168.55 13.06 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.312 1.91 . . . . 0.0 113.511 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -160.42 131.75 5.78 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.43 1.492 . . . . 0.0 111.628 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -154.66 -38.48 0.09 Allowed 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -71.92 -25.79 62.04 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.537 1.517 . . . . 0.0 113.662 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 13.7 mmt -55.31 -43.77 75.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.118 0.961 . . . . 0.0 109.663 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -75.28 -17.85 60.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.729 1.612 . . . . 0.0 112.108 -173.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -83.05 -45.24 14.26 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.799 0.84 . . . . 0.0 110.685 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 62.0 m -65.72 -51.56 58.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.908 1.683 . . . . 0.0 111.722 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.11 -35.95 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.337 1.055 . . . . 0.0 110.662 -172.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -57.24 -54.41 47.1 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.632 0.651 . . . . 0.0 111.254 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -63.33 -40.37 97.13 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.203 0.91 . . . . 0.0 111.929 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.79 -30.77 71.83 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -77.93 -40.44 39.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.587 0.755 . . . . 0.0 112.284 169.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 45.0 t -73.97 -36.23 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.2 -11.44 60.73 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -170.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 66.4 m -85.35 -6.79 59.21 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 173.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? . . . . . 0 C--O 1.254 1.309 0 C-N-CA 124.66 1.184 . . . . 0.0 112.021 179.605 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 120.261 0.077 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.62 71.51 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -54.87 -46.93 99.42 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.14 -29.63 39.31 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.948 1.766 . . . . 0.0 113.417 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.8 -43.96 43.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.12 1.327 . . . . 0.0 111.279 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.77 -35.35 80.32 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.477 1.111 . . . . 0.0 111.954 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.36 -33.07 69.23 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 119.158 -0.448 . . . . 0.0 112.159 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.79 59.59 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.87 1.214 . . . . 0.0 112.597 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.5 pt -64.36 -33.65 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.109 0.868 . . . . 0.0 111.091 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -27.15 72.66 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.744 1.164 . . . . 0.0 113.468 173.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -52.82 56.59 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.965 1.306 . . . . 0.0 109.994 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.03 -41.25 91.82 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.146 0.979 . . . . 0.0 111.891 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.78 -42.68 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.268 0.486 . . . . 0.0 110.274 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.03 -37.57 73.57 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.35 0.976 . . . . 0.0 113.116 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mt -64.78 -39.67 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.679 0.792 . . . . 0.0 111.522 172.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.01 -58.75 3.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.601 1.16 . . . . 0.0 113.219 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.23 -23.21 64.78 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -66.48 -28.5 68.63 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -81.1 -38.88 26.55 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.251 1.02 . . . . 0.0 113.407 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -58.44 -14.61 8.14 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 -172.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.54 -8.23 86.42 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.778 -1.012 . . . . 0.0 114.835 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -74.92 -45.24 43.91 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.488 1.644 . . . . 0.0 112.387 177.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -158.71 -11.81 0.07 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 -173.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.13 -144.97 4.31 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.913 1.721 . . . . 0.0 113.168 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -149.49 -167.13 2.74 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.816 0.847 . . . . 0.0 112.399 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.26 -27.87 62.46 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.634 1.573 . . . . 0.0 115.123 -169.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -140.58 21.19 2.36 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 t -151.93 143.65 23.63 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.21 -0.931 . . . . 0.0 113.038 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.61 151.67 24.06 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.453 1.901 . . . . 0.0 110.756 172.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -79.64 159.1 26.88 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 109.21 167.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -61.73 -35.1 77.1 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 119.825 -1.797 . . . . 0.0 112.851 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.78 -38.71 64.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.958 1.303 . . . . 0.0 112.616 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.46 -40.85 96.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.705 1.202 . . . . 0.0 110.946 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.08 -42.87 99.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.222 1.409 . . . . 0.0 110.495 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -58.15 -34.2 70.01 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.382 -1.449 . . . . 0.0 111.73 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -72.22 -37.93 69.1 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.379 1.071 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.0 -53.53 54.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.985 0.914 . . . . 0.0 109.625 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -58.71 -48.34 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.427 0.691 . . . . 0.0 112.002 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.91 -31.68 72.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.566 -0.73 . . . . 0.0 112.371 -175.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.9 -45.9 11.08 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.446 1.021 . . . . 0.0 113.273 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.56 -47.96 10.04 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.084 0.553 . . . . 0.0 111.746 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -84.62 -49.49 8.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.162 -0.923 . . . . 0.0 109.564 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 109.53 168.01 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 130.844 3.658 . . . . 0.0 112.509 169.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.7 mm -121.75 128.8 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 126.149 1.78 . . . . 0.0 108.759 172.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.64 -36.3 9.57 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.734 1.159 . . . . 0.0 111.913 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.3 p -155.99 147.07 22.31 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.958 1.303 . . . . 0.0 111.347 170.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -66.27 -6.76 15.0 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.54 -1.35 . . . . 0.0 114.561 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.29 -22.48 66.85 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.054 0.942 . . . . 0.0 111.661 169.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -74.99 -15.07 60.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.805 1.242 . . . . 0.0 113.182 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.78 -33.01 72.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.784 -1.197 . . . . 0.0 112.579 -172.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.27 68.16 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.398 1.479 . . . . 0.0 112.979 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -80.6 -38.12 29.95 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.383 1.073 . . . . 0.0 110.883 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.84 -40.07 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.236 -0.915 . . . . 0.0 112.006 176.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.4 ' HA ' ' HG2' ' A' ' 57' ' ' MET . 30.0 m -66.12 -28.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.031 0.832 . . . . 0.0 112.664 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.53 -38.01 59.66 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.27 0.486 . . . . 0.0 111.84 169.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.43 -47.22 84.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.337 -0.852 . . . . 0.0 111.361 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 14.7 ptt? -67.93 -30.05 69.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.541 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.37 -33.13 71.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.421 1.088 . . . . 0.0 112.588 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -72.39 -26.52 61.91 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.254 1.022 . . . . 0.0 112.355 172.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.83 -42.3 24.6 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.298 1.439 . . . . 0.0 112.225 170.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.91 -4.4 12.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.175 2.19 . . . . 0.0 113.022 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -57.06 -19.47 19.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.245 1.418 . . . . 0.0 113.016 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.39 -45.04 84.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.196 0.999 . . . . 0.0 113.055 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -174.59 141.28 0.65 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.616 2.766 . . . . 0.0 109.655 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -52.92 -0.14 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.996 2.918 . . . . 0.0 118.365 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -125.98 -10.48 6.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.892 1.677 . . . . 0.0 114.025 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -160.18 159.35 31.51 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -169.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.9 t -116.88 100.3 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 127.291 2.236 . . . . 0.0 107.618 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.82 147.29 35.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.13 0.572 . . . . 0.0 111.475 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -53.06 -42.78 66.14 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.653 1.181 . . . . 0.0 114.008 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.16 -39.07 93.61 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.67 0.668 . . . . 0.0 111.723 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.97 -39.26 72.63 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.601 0.76 . . . . 0.0 111.223 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -58.66 -44.58 90.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.352 1.061 . . . . 0.0 112.049 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.3 mm -65.59 -44.54 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.106 0.866 . . . . 0.0 111.19 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.9 m -57.97 -43.81 86.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.152 0.981 . . . . 0.0 111.305 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -67.76 -36.5 80.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.05 1.74 . . . . 0.0 112.686 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.97 -27.36 68.09 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.907 0.776 . . . . 0.0 111.495 169.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.23 -33.4 68.92 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.629 1.109 . . . . 0.0 112.205 169.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.79 76.32 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.104 0.952 . . . . 0.0 111.354 171.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.95 -47.19 78.05 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.148 0.886 . . . . 0.0 110.884 170.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.63 80.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.348 1.059 . . . . 0.0 113.433 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -70.6 -39.03 74.03 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.811 1.244 . . . . 0.0 112.403 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.29 -31.3 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.918 1.287 . . . . 0.0 111.044 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -76.26 45.35 0.37 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.005 1.722 . . . . 0.0 110.799 169.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.49 -20.62 8.06 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 117.726 2.491 . . . . 0.0 117.726 -168.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.73 -25.86 68.4 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.827 2.103 . . . . 0.0 112.065 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.03 -23.07 66.48 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.175 0.99 . . . . 0.0 113.506 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -97.21 1.37 49.67 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.203 1.801 . . . . 0.0 112.037 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -100.82 17.43 22.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.526 1.53 . . . . 0.0 113.041 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 C-N-CA 125.965 1.745 . . . . 0.0 114.613 177.772 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.13 46.85 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -50.25 -41.75 68.23 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -171.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.37 -33.05 71.4 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.332 2.688 . . . . 0.0 113.143 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.4 tp -76.6 -42.99 40.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.36 0.527 . . . . 0.0 110.507 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -59.28 -40.27 85.56 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.949 . . . . 0.0 112.323 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -72.97 -24.31 60.76 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.52 -46.13 17.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.335 0.97 . . . . 0.0 112.189 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -62.33 -34.91 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.524 1.056 . . . . 0.0 110.348 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -23.97 68.67 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 125.39 1.471 . . . . 0.0 114.112 172.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -52.07 29.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.353 1.077 . . . . 0.0 110.224 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.81 -41.92 87.93 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.457 1.103 . . . . 0.0 111.585 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.33 -42.65 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.666 0.667 . . . . 0.0 110.648 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.86 -45.66 81.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.96 0.791 . . . . 0.0 113.028 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -60.41 -45.6 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.194 0.998 . . . . 0.0 111.261 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.97 -52.17 38.98 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.66 0.784 . . . . 0.0 112.373 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -72.04 -26.34 62.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.72 -38.79 67.51 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.791 0.836 . . . . 0.0 111.045 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -83.58 -43.79 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.5 p -67.59 -37.1 82.09 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.739 1.608 . . . . 0.0 112.687 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.7 0.66 89.25 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.839 1.209 . . . . 0.0 114.151 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -32.47 74.19 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.418 1.609 . . . . 0.0 113.435 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.81 4.13 42.62 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.696 1.198 . . . . 0.0 112.947 172.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 15.41 76.96 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.696 1.141 . . . . 0.0 114.51 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.38 -159.4 0.48 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -76.23 -175.54 3.22 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.668 1.987 . . . . 0.0 112.922 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -76.55 49.57 0.62 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.084 1.754 . . . . 0.0 112.454 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -137.82 153.75 49.6 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.976 1.71 . . . . 0.0 111.588 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -126.4 142.09 51.66 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.785 1.234 . . . . 0.0 110.733 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.1 p -79.27 159.67 27.16 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.374 -0.829 . . . . 0.0 109.171 168.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.27 -27.46 67.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.403 -1.435 . . . . 0.0 113.103 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -76.55 -42.12 44.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.151 1.38 . . . . 0.0 113.076 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.13 -32.87 72.55 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.92 -1.112 . . . . 0.0 111.53 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.41 -44.73 95.73 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.469 1.108 . . . . 0.0 109.929 169.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -58.48 -35.97 73.03 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.191 -0.943 . . . . 0.0 111.845 173.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.71 -43.51 88.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.726 0.81 . . . . 0.0 111.95 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.6 -52.53 61.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.298 1.039 . . . . 0.0 110.432 169.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -65.38 -46.4 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 118.606 -0.711 . . . . 0.0 112.451 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.18 -12.15 61.05 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.886 1.221 . . . . 0.0 112.899 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -85.56 -53.53 5.12 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.778 1.172 . . . . 0.0 111.2 169.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -78.77 -48.78 14.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.04 0.536 . . . . 0.0 112.423 -173.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.3 34.73 2.1 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.222 1.809 . . . . 0.0 110.204 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -49.72 136.57 17.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.037 2.135 . . . . 0.0 112.521 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mt -118.97 123.14 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.343 1.457 . . . . 0.0 109.547 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.25 131.1 38.67 Favored Glycine 0 CA--C 1.531 1.089 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 27.2 m 68.13 3.18 3.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 126.066 1.747 . . . . 0.0 113.879 -174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp 61.12 27.47 17.26 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.873 2.069 . . . . 0.0 114.835 173.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -74.87 168.1 20.57 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.142 -0.973 . . . . 0.0 110.41 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 65.81 -2.65 0.85 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.931 2.092 . . . . 0.0 113.564 -170.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -21.71 66.45 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.204 -1.56 . . . . 0.0 113.047 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.22 -30.67 71.26 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.842 1.257 . . . . 0.0 112.351 169.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.72 -29.83 32.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.229 1.012 . . . . 0.0 110.873 171.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.5 mm -70.41 -39.0 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.103 -0.998 . . . . 0.0 111.943 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.98 -23.57 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.303 0.956 . . . . 0.0 112.359 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -78.39 -40.47 36.0 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.189 169.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.45 -46.31 80.41 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.715 1.143 . . . . 0.0 111.983 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -25.69 65.82 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.207 0.912 . . . . 0.0 112.47 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.87 -31.78 51.56 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.75 1.22 . . . . 0.0 113.03 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.36 -29.45 66.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.66 1.184 . . . . 0.0 111.746 170.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.21 -45.94 62.27 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.573 1.149 . . . . 0.0 110.537 168.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.89 -15.78 45.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.0 1.72 . . . . 0.0 113.741 174.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -59.35 -29.38 67.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 112.306 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -77.66 -36.8 51.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.038 0.935 . . . . 0.0 112.87 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -159.04 129.77 6.02 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.283 1.833 . . . . 0.0 110.663 169.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.58 136.88 39.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.467 1.107 . . . . 0.0 113.455 -169.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 76.32 -36.6 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 129.813 3.245 . . . . 0.0 111.996 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -139.05 126.25 21.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.605 1.962 . . . . 0.0 109.731 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 52.2 t -105.86 128.53 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.835 2.054 . . . . 0.0 108.779 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.78 155.17 24.37 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.932 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -44.55 -46.09 9.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.616 1.566 . . . . 0.0 114.866 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -62.71 -38.43 90.39 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.127 -0.983 . . . . 0.0 111.68 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -75.67 -33.11 60.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.502 1.121 . . . . 0.0 111.363 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -63.09 -44.41 95.78 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.928 0.891 . . . . 0.0 111.63 171.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.05 -43.13 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.068 -1.02 . . . . 0.0 110.676 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.5 m -57.31 -45.41 84.25 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.074 0.949 . . . . 0.0 110.983 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.36 -36.41 79.18 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.654 0.782 . . . . 0.0 112.65 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.29 -26.26 68.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.058 1.299 . . . . 0.0 111.58 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.1 -38.09 83.11 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 118.884 0.765 . . . . 0.0 112.309 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.26 86.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.446 1.123 . . . . 0.0 111.769 170.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.49 -42.29 91.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.091 1.356 . . . . 0.0 111.441 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.43 -31.95 69.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.692 1.197 . . . . 0.0 112.902 172.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 84.4 mtp -74.43 -24.8 59.13 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 28.3 mm -66.55 -33.04 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 120.185 1.357 . . . . 0.0 111.527 169.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -72.62 55.1 0.36 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.908 1.283 . . . . 0.0 112.719 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -47.6 -38.79 15.26 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.337 2.255 . . . . 0.0 115.008 -170.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.74 -30.81 71.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.899 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.05 -24.59 66.0 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.97 -1.081 . . . . 0.0 112.313 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.5 mt -100.53 15.4 28.11 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.272 2.229 . . . . 0.0 112.164 172.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -111.73 -43.91 3.56 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.584 1.554 . . . . 0.0 111.029 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.446 0 C-N-CA 125.799 1.666 . . . . 0.0 113.268 178.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.295 0.093 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -164.21 160.89 21.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.376 1.87 . . . . 0.0 111.265 -176.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 173.47 -176.51 46.09 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.717 1.151 . . . . 0.0 113.593 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.49 -36.19 61.42 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.773 1.229 . . . . 0.0 113.246 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -57.4 -31.89 66.28 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.688 1.195 . . . . 0.0 112.517 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -78.7 -16.43 57.27 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 48.4 t -88.13 -37.49 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 125.123 1.369 . . . . 0.0 109.497 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.17 -28.48 65.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.589 1.956 . . . . 0.0 112.406 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -54.07 -34.07 59.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.927 1.291 . . . . 0.0 112.428 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -21.91 66.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.426 1.091 . . . . 0.0 112.803 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.65 -43.93 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.243 1.417 . . . . 0.0 110.112 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -52.42 -43.53 64.87 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.064 0.946 . . . . 0.0 112.545 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.65 -5.09 46.43 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -86.71 -22.2 26.18 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.156 0.982 . . . . 0.0 112.717 175.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 149.73 160.06 9.01 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.899 1.237 . . . . 0.0 114.742 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -159.49 37.17 0.2 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.665 1.986 . . . . 0.0 111.072 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.88 -30.52 69.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.21 1.404 . . . . 0.0 114.671 -170.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -82.28 -15.13 54.09 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.72 -47.04 76.69 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.977 1.262 . . . . 0.0 109.593 169.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -54.46 -35.53 63.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.954 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -80.85 -47.11 14.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.727 1.611 . . . . 0.0 112.713 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 9.9 m -83.26 -35.88 24.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.664 0.786 . . . . 0.0 112.729 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.63 -38.18 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.727 0.694 . . . . 0.0 110.593 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.05 -54.63 38.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.491 0.716 . . . . 0.0 111.403 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.06 -47.65 77.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.919 -1.113 . . . . 0.0 113.028 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.59 71.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -71.11 -49.05 48.41 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.735 0.698 . . . . 0.0 111.579 170.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.1 -44.09 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 125.943 1.697 . . . . 0.0 111.949 -175.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.88 -8.42 52.71 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.374 1.869 . . . . 0.0 113.941 -173.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 61.1 m -123.02 11.52 9.56 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.961 1.305 . . . . 0.0 114.318 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 124.935 1.294 . . . . 0.0 112.859 178.179 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.186 0.041 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -72.95 156.48 38.81 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.925 1.29 . . . . 0.0 112.361 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 171.29 110.19 0.23 Allowed Glycine 0 N--CA 1.469 0.899 0 C-N-CA 123.992 0.805 . . . . 0.0 113.408 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.72 -33.91 70.75 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.551 1.141 . . . . 0.0 113.06 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.7 ptp -57.19 -30.0 64.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.735 1.214 . . . . 0.0 113.856 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.12 -19.65 64.85 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.043 -1.035 . . . . 0.0 113.22 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.16 -45.61 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.226 1.411 . . . . 0.0 110.036 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.97 -30.74 67.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.769 1.227 . . . . 0.0 113.248 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -59.01 -34.57 72.03 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.97 0.804 . . . . 0.0 111.472 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -63.29 -21.69 66.41 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 30.5 mm -81.65 -32.35 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.72 1.208 . . . . 0.0 111.303 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -74.7 -34.68 62.66 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.327 -0.858 . . . . 0.0 111.352 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -73.15 -1.58 18.12 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.753 1.621 . . . . 0.0 113.855 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.29 -13.35 55.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.967 1.307 . . . . 0.0 112.688 170.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 122.51 153.99 8.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.254 1.883 . . . . 0.0 113.273 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -166.18 139.89 4.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.952 1.701 . . . . 0.0 111.057 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -143.19 -55.53 0.4 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.321 1.049 . . . . 0.0 112.711 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.53 -25.83 68.43 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 33.5 tpp -58.3 -51.88 67.94 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.17 0.588 . . . . 0.0 110.981 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . 0.294 0.0 OUTLIER -69.87 -18.41 63.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.669 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.38 -36.04 63.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.112 1.323 . . . . 0.0 112.015 169.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.4 m -73.18 -52.33 14.53 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.812 1.645 . . . . 0.0 111.091 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.41 -39.42 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 122.818 0.447 . . . . 0.0 111.752 -173.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -58.16 -57.4 13.03 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.402 -0.811 . . . . 0.0 111.457 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.99 -37.43 82.43 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.41 -0.806 . . . . 0.0 112.621 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.94 -20.19 61.79 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -89.73 -44.26 10.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.141 0.976 . . . . 0.0 111.571 169.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 53.4 t -74.89 -15.08 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.836 1.254 . . . . 0.0 113.311 -169.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.94 -5.33 0.95 Allowed 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 50.2 m -66.38 -12.19 55.53 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.719 -1.238 . . . . 0.0 114.061 169.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.178 1.791 . . . . 0.0 113.498 -177.358 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.42 5.71 0.73 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -174.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -39.02 -47.92 3.88 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -169.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.35 -39.63 21.86 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.418 2.078 . . . . 0.0 113.898 -174.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -81.66 -38.52 25.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.854 0.461 . . . . 0.0 111.634 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.24 -37.36 74.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.749 1.22 . . . . 0.0 112.994 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -71.41 -30.49 66.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.673 -0.642 . . . . 0.0 112.71 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.33 46.64 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.471 1.032 . . . . 0.0 112.465 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 pt -64.54 -36.02 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.474 1.034 . . . . 0.0 110.85 170.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -28.89 64.64 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.002 1.287 . . . . 0.0 113.521 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -55.64 16.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.135 0.974 . . . . 0.0 110.598 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.46 -42.18 82.05 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.816 1.246 . . . . 0.0 111.634 176.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.0 mt -62.89 -45.54 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.303 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.67 -36.03 62.18 Favored Glycine 0 N--CA 1.469 0.843 0 C-N-CA 123.457 0.551 . . . . 0.0 113.097 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 mt -63.52 -43.24 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.792 0.837 . . . . 0.0 111.048 172.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -71.92 -55.59 7.21 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.711 0.804 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -67.34 -24.28 65.7 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -70.39 -28.91 65.45 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.369 -0.832 . . . . 0.0 112.88 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -81.96 -22.57 36.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -61.01 -17.01 49.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 0.69 70.87 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.633 1.111 . . . . 0.0 115.11 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -70.79 -45.15 65.21 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.639 1.719 . . . . 0.0 113.113 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -161.66 -23.6 0.05 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.7 -169.35 44.98 Favored Glycine 0 CA--C 1.537 1.429 0 CA-C-N 119.667 1.121 . . . . 0.0 114.135 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.01 148.18 52.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.983 0.913 . . . . 0.0 111.586 169.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -51.07 -23.27 2.94 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.048 1.739 . . . . 0.0 115.66 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -127.56 22.45 6.42 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.29 175.26 7.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.575 1.55 . . . . 0.0 111.322 175.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 mt -134.67 130.87 37.0 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.533 1.133 . . . . 0.0 109.923 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.2 t -76.8 152.34 35.58 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.687 -0.633 . . . . 0.0 109.972 169.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.49 -32.36 68.72 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 119.663 -1.898 . . . . 0.0 113.592 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -67.49 -46.1 73.93 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.533 1.533 . . . . 0.0 112.329 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.11 -35.93 82.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.645 1.978 . . . . 0.0 111.291 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.86 -42.88 84.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.703 1.601 . . . . 0.0 110.757 169.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -59.39 -39.53 83.67 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.544 -1.348 . . . . 0.0 111.89 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.52 -43.83 98.16 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.422 0.689 . . . . 0.0 111.985 173.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.24 -55.8 27.22 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.982 0.81 . . . . 0.0 110.57 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.96 -46.1 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.891 0.769 . . . . 0.0 111.608 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.418 HE22 ' CG2' ' A' ' 44' ' ' ILE . 30.8 mm-40 -73.73 -20.95 60.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.592 1.087 . . . . 0.0 113.871 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -87.9 -45.35 10.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.333 1.424 . . . . 0.0 114.415 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.04 -48.35 11.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.738 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -83.27 -64.45 1.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 76.19 139.41 0.07 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 130.561 3.544 . . . . 0.0 112.404 -177.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.418 ' CG2' HE22 ' A' ' 39' ' ' GLN . 0.7 OUTLIER -119.51 -8.15 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.32 1.048 . . . . 0.0 112.291 169.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 -141.98 33.67 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.658 1.123 . . . . 0.0 112.374 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 p -78.94 -1.19 34.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.474 1.51 . . . . 0.0 113.873 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -62.29 142.41 57.76 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.721 1.209 . . . . 0.0 112.736 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.95 -11.73 49.65 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.95 -10.06 8.65 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.286 1.434 . . . . 0.0 113.387 174.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.73 -26.64 64.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 120.588 1.54 . . . . 0.0 112.133 169.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.63 70.1 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.029 0.932 . . . . 0.0 112.602 170.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.93 -33.12 30.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.396 1.078 . . . . 0.0 111.059 170.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.17 -42.14 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 119.151 0.887 . . . . 0.0 112.109 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.87 -24.84 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.38 0.991 . . . . 0.0 112.116 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -79.08 -35.23 42.77 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.196 0.907 . . . . 0.0 111.831 169.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.04 -39.39 93.28 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.583 1.083 . . . . 0.0 112.363 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -27.59 68.29 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.602 1.092 . . . . 0.0 112.208 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.06 -25.13 47.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -74.26 -37.91 63.6 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.706 1.203 . . . . 0.0 111.825 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.26 -38.1 87.99 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.263 1.025 . . . . 0.0 110.722 169.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -80.36 -6.76 58.51 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.17 66.75 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.638 -1.289 . . . . 0.0 112.197 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.2 -15.04 59.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 112.664 170.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -118.82 -143.72 0.36 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.539 2.336 . . . . 0.0 111.893 -169.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -158.68 1.16 0.09 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 175.01 -41.98 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.098 2.559 . . . . 0.0 111.121 -174.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -147.24 147.89 30.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.039 1.336 . . . . 0.0 112.131 -169.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.85 128.7 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.01 2.124 . . . . 0.0 110.911 -172.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -79.3 156.93 27.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.587 1.155 . . . . 0.0 111.367 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -48.38 -40.92 27.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.44 -38.22 84.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.17 -0.956 . . . . 0.0 111.846 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.92 -33.63 64.03 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.511 0.724 . . . . 0.0 111.993 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.1 -40.15 92.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.132 0.973 . . . . 0.0 111.49 170.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mm -63.68 -48.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.643 0.777 . . . . 0.0 111.348 171.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.9 m -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.326 0.966 . . . . 0.0 111.848 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -67.37 -39.6 85.7 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.033 0.933 . . . . 0.0 112.317 175.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.0 mt -65.94 -27.51 68.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.61 1.096 . . . . 0.0 111.605 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.77 85.09 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.913 0.768 . . . . 0.0 112.164 169.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.77 50.59 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.189 0.994 . . . . 0.0 110.962 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -53.64 -44.25 69.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.95 1.3 . . . . 0.0 111.418 178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.18 70.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.134 1.373 . . . . 0.0 113.093 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.4 ttt -79.71 -32.61 41.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.125 0.97 . . . . 0.0 112.853 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.24 -31.67 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.306 0.957 . . . . 0.0 110.452 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -71.56 45.84 0.11 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.697 1.999 . . . . 0.0 111.998 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -53.66 -23.6 11.81 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.904 2.882 . . . . 0.0 117.086 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.29 -23.44 62.86 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.892 1.678 . . . . 0.0 111.933 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.36 69.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.793 0.837 . . . . 0.0 112.592 170.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.64 -38.81 47.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.46 1.104 . . . . 0.0 110.973 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -63.57 -50.44 69.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.213 1.405 . . . . 0.0 111.927 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 C-N-CA 125.253 1.406 . . . . 0.0 113.62 179.037 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.5 tpp . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.27 -21.17 8.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -169.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.36 -48.66 34.46 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -66.35 -37.51 23.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 123.395 2.73 . . . . 0.0 113.448 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 tp -73.96 -42.5 60.41 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.956 0.798 . . . . 0.0 110.676 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.24 -34.64 78.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.79 1.236 . . . . 0.0 112.623 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -74.93 -27.99 60.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 169.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.88 -46.95 27.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.574 1.079 . . . . 0.0 112.2 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.7 pt -63.62 -31.92 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.691 0.678 . . . . 0.0 110.921 170.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.6 -24.65 73.96 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 118.915 -0.936 . . . . 0.0 114.146 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -50.69 53.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.925 1.362 . . . . 0.0 109.939 174.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.95 -41.72 92.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.5 0.72 . . . . 0.0 112.105 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.54 -42.28 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.589 0.632 . . . . 0.0 110.617 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.2 -43.18 95.81 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-N 118.595 0.634 . . . . 0.0 112.835 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -59.67 -40.95 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.416 1.086 . . . . 0.0 111.472 173.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -68.25 -47.57 67.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.206 0.602 . . . . 0.0 111.304 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -69.71 -23.0 63.35 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -54.44 -53.5 53.31 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.416 1.007 . . . . 0.0 110.139 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -83.13 -40.43 19.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.788 1.635 . . . . 0.0 114.207 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.9 p -69.42 -37.25 77.36 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.868 -1.145 . . . . 0.0 112.085 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.23 79.21 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.433 1.016 . . . . 0.0 113.86 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -67.34 -35.11 78.72 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.512 1.156 . . . . 0.0 111.914 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.64 -25.69 23.41 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.253 1.021 . . . . 0.0 112.946 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.3 14.13 64.58 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.258 0.932 . . . . 0.0 113.198 -170.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.76 -31.75 57.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.377 1.471 . . . . 0.0 111.952 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttp 68.16 -65.71 0.25 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.107 2.563 . . . . 0.0 115.177 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -108.84 16.43 22.74 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.993 1.317 . . . . 0.0 113.799 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -151.52 164.12 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.365 1.866 . . . . 0.0 111.203 175.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -131.17 138.51 49.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.718 1.607 . . . . 0.0 110.945 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.6 m -80.42 152.96 28.55 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 168.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -53.22 -40.08 64.23 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.537 -1.352 . . . . 0.0 113.69 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -63.5 -34.42 77.74 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -76.67 -36.49 57.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.136 0.974 . . . . 0.0 111.259 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.23 -38.77 90.48 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.926 0.89 . . . . 0.0 109.8 169.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -60.76 -43.59 97.82 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.587 -1.321 . . . . 0.0 112.382 173.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.86 -42.53 98.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.797 0.839 . . . . 0.0 111.494 174.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.96 -55.47 32.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.193 0.997 . . . . 0.0 110.758 172.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.33 -49.51 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.845 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.77 -27.54 68.36 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.004 0.82 . . . . 0.0 113.073 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.54 -43.54 12.63 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -85.5 -29.94 23.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.227 0.921 . . . . 0.0 113.142 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.62 79.95 1.27 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.35 1.46 . . . . 0.0 107.941 170.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.7 p -61.56 135.36 57.62 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.742 1.617 . . . . 0.0 112.449 -171.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -128.39 132.54 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.077 1.751 . . . . 0.0 109.379 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.59 -120.14 4.39 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 125.625 1.583 . . . . 0.0 111.032 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -72.13 -3.8 25.33 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.548 1.139 . . . . 0.0 113.352 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.69 54.4 1.22 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.658 1.983 . . . . 0.0 112.147 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -58.89 123.66 17.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.757 1.223 . . . . 0.0 111.566 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -155.03 23.95 0.43 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.233 1.813 . . . . 0.0 111.707 177.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.91 -26.12 68.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.967 -1.083 . . . . 0.0 112.561 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -26.81 68.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.704 1.201 . . . . 0.0 113.389 169.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -81.66 -37.76 26.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.035 0.934 . . . . 0.0 110.319 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.9 mm -60.05 -44.02 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.414 -0.804 . . . . 0.0 111.788 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -65.09 -32.01 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.059 0.845 . . . . 0.0 112.739 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -74.35 -29.83 61.75 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.781 0.719 . . . . 0.0 111.902 171.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.76 -36.21 81.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.949 -1.094 . . . . 0.0 112.103 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 29.4 mtm -59.06 -42.71 90.97 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.728 1.149 . . . . 0.0 111.397 171.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.35 -27.9 66.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.823 1.249 . . . . 0.0 112.317 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -81.01 -27.45 35.84 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.69 -44.86 69.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.832 0.853 . . . . 0.0 110.124 169.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.89 -5.51 51.23 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.035 1.734 . . . . 0.0 113.857 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -56.58 -28.55 60.5 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.889 -1.132 . . . . 0.0 111.696 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -73.98 -9.68 58.88 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.289 1.436 . . . . 0.0 113.428 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -144.8 -123.53 0.08 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.111 1.764 . . . . 0.0 111.398 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -171.96 1.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -175.51 -49.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 111.286 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.43 145.73 35.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 112.113 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -96.41 96.4 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.066 1.746 . . . . 0.0 106.699 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.03 171.63 14.95 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.916 0.886 . . . . 0.0 110.95 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.15 -56.88 10.37 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.11 -31.5 71.14 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.352 1.433 . . . . 0.0 112.296 -169.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -73.78 -29.01 61.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.11 0.964 . . . . 0.0 112.199 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -65.79 -42.86 90.24 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.474 1.034 . . . . 0.0 110.977 169.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mm -61.89 -47.75 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.274 0.63 . . . . 0.0 110.685 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.4 m -60.91 -41.95 97.12 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.77 1.228 . . . . 0.0 111.473 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.83 -40.17 94.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.763 0.825 . . . . 0.0 112.109 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.18 -22.09 66.64 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.862 0.756 . . . . 0.0 112.195 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.81 54.8 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.437 1.017 . . . . 0.0 112.466 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.91 99.9 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.282 1.041 . . . . 0.0 111.828 172.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.54 -45.38 85.15 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.78 1.232 . . . . 0.0 111.124 173.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.94 89.23 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.294 1.438 . . . . 0.0 113.545 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 98.1 mtp -68.06 -38.32 82.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.114 0.87 . . . . 0.0 112.747 172.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.5 mt -67.24 -26.66 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.59 0.756 . . . . 0.0 111.055 174.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -75.61 49.26 0.49 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.329 1.451 . . . . 0.0 111.365 169.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -45.14 -31.22 1.34 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.215 2.606 . . . . 0.0 116.875 -169.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.26 -29.18 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.467 1.485 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.31 -22.64 64.7 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.758 -1.214 . . . . 0.0 112.849 173.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.74 21.32 9.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.319 1.848 . . . . 0.0 111.541 173.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -139.7 -44.5 0.44 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.158 1.383 . . . . 0.0 112.364 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 C-N-CA 126.451 1.977 . . . . 0.0 113.032 173.277 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.425 0.155 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -163.41 156.69 19.05 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.551 1.941 . . . . 0.0 111.602 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -90.65 160.3 27.62 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 124.398 0.999 . . . . 0.0 112.503 175.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -52.92 -33.46 50.73 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.089 1.356 . . . . 0.0 113.017 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -55.36 -29.24 58.01 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.882 1.273 . . . . 0.0 112.504 -178.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.17 -17.02 63.16 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.64 -38.59 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 125.128 1.371 . . . . 0.0 109.268 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.23 -32.75 74.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.523 1.529 . . . . 0.0 112.004 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.69 -33.54 68.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.788 1.235 . . . . 0.0 112.729 169.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.99 -23.49 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.976 -1.078 . . . . 0.0 112.376 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.54 -37.8 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.956 1.303 . . . . 0.0 110.69 175.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.58 -40.36 87.16 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.464 0.706 . . . . 0.0 111.76 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.31 -0.91 15.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.463 1.505 . . . . 0.0 113.815 173.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.15 2.59 16.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.072 1.749 . . . . 0.0 112.901 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.27 -166.84 37.11 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.233 1.397 . . . . 0.0 113.776 -175.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -139.13 159.76 41.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.747 1.619 . . . . 0.0 111.17 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.51 -4.6 40.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.7 -19.42 58.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.694 1.198 . . . . 0.0 113.91 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 26.0 ptp -58.12 -47.59 82.81 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.146 0.884 . . . . 0.0 110.299 170.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -64.7 -34.7 78.92 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.775 1.63 . . . . 0.0 111.013 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.11 -24.21 65.0 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.606 0.762 . . . . 0.0 112.302 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 29.8 m -94.2 -39.3 10.62 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.606 1.162 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.6 mm -55.48 -43.82 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.571 0.748 . . . . 0.0 110.402 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -55.22 -55.32 32.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.509 0.724 . . . . 0.0 112.11 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -58.3 -43.66 88.18 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.31 -0.869 . . . . 0.0 112.738 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.3 79.25 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.624 0.647 . . . . 0.0 112.66 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -42.18 76.15 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.644 0.778 . . . . 0.0 111.795 174.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 45.7 t -60.61 -40.47 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 124.663 1.185 . . . . 0.0 111.858 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -68.6 -3.13 10.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.104 1.762 . . . . 0.0 114.377 -174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.8 m -72.54 -15.26 61.77 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.698 -1.251 . . . . 0.0 113.147 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 . . . . . 0 C--O 1.255 1.35 0 C-N-CA 125.784 1.633 . . . . 0.0 113.197 -178.229 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -74.3 -40.05 62.52 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.816 0.846 . . . . 0.0 112.375 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 81.14 163.32 30.29 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 125.067 1.318 . . . . 0.0 113.928 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.16 -30.64 70.52 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.525 1.13 . . . . 0.0 113.371 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -51.5 -33.91 33.55 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.181 1.793 . . . . 0.0 112.827 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.14 -8.64 57.47 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -96.64 -39.02 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.663 1.585 . . . . 0.0 109.072 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.2 -41.23 92.53 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.208 1.803 . . . . 0.0 110.952 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -51.18 -42.51 60.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.595 1.558 . . . . 0.0 112.727 172.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -58.49 -27.55 64.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.765 0.826 . . . . 0.0 113.105 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.5 mm -90.94 -34.96 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.272 1.429 . . . . 0.0 110.468 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -63.05 -38.46 91.27 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.098 -1.002 . . . . 0.0 112.121 172.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.86 -0.29 20.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.263 1.025 . . . . 0.0 113.731 176.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -108.09 -45.94 3.85 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.969 1.308 . . . . 0.0 112.399 170.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -123.69 120.82 4.28 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.646 1.593 . . . . 0.0 113.582 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -175.96 117.95 0.14 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.892 2.477 . . . . 0.0 109.521 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -163.56 -53.72 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.816 0.847 . . . . 0.0 113.116 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.77 -26.04 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.312 -0.867 . . . . 0.0 112.177 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.4 tpp -51.57 -56.06 15.63 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 124.599 1.16 . . . . 0.0 109.594 168.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.5 -35.12 71.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.38 1.072 . . . . 0.0 112.469 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -68.98 -42.09 77.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.62 0.645 . . . . 0.0 111.807 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 22.2 m -73.88 -38.43 64.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.361 1.064 . . . . 0.0 111.756 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.29 -43.53 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.16 -48.07 82.95 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.075 0.852 . . . . 0.0 111.553 172.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -57.58 -45.3 85.41 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.36 -0.838 . . . . 0.0 112.945 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.66 64.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -75.7 -49.9 16.96 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.315 0.646 . . . . 0.0 111.208 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.08 -40.36 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 122.026 0.917 . . . . 0.0 112.585 -169.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.58 -26.69 65.62 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 113.711 -1.586 . . . . 0.0 112.461 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 58.3 m -103.67 16.19 27.01 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.421 1.488 . . . . 0.0 114.282 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 C-N-CA 124.968 1.307 . . . . 0.0 114.192 174.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -20.57 49.35 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 118.234 2.679 . . . . 0.0 118.234 -169.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -52.2 -37.23 40.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 N-CA-C 116.922 2.194 . . . . 0.0 116.922 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -66.12 -36.93 27.27 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.064 2.509 . . . . 0.0 113.52 177.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.26 -37.73 28.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.014 0.824 . . . . 0.0 111.895 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.25 -42.51 86.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.133 1.373 . . . . 0.0 111.487 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -69.96 -19.06 63.38 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.69 10.32 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.329 0.968 . . . . 0.0 112.264 171.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 pt -64.69 -32.72 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.274 0.943 . . . . 0.0 112.219 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.75 -23.32 78.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 119.488 -0.618 . . . . 0.0 113.553 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -52.64 62.59 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 1.144 . . . . 0.0 109.66 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.57 -38.59 78.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.599 1.16 . . . . 0.0 111.47 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.42 -51.35 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.755 0.822 . . . . 0.0 112.073 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.16 76.2 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 123.904 0.764 . . . . 0.0 113.348 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mt -75.11 -42.05 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.37 1.068 . . . . 0.0 111.995 169.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -68.62 -57.19 6.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.822 0.849 . . . . 0.0 112.648 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -68.81 -20.35 64.32 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -59.17 -40.88 86.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.784 1.234 . . . . 0.0 111.197 169.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.34 -25.81 33.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 m -61.8 -41.88 98.31 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.323 1.419 . . . . 0.0 110.739 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.51 -4.69 9.95 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.841 1.686 . . . . 0.0 114.816 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -66.51 -24.23 66.36 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.671 1.235 . . . . 0.0 111.788 169.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -118.74 -30.71 5.03 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.932 0.893 . . . . 0.0 112.42 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.17 -154.99 26.0 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-N 119.012 0.824 . . . . 0.0 114.429 174.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -74.68 104.24 5.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.589 1.156 . . . . 0.0 111.406 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -159.45 143.67 15.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.576 1.55 . . . . 0.0 112.751 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -94.0 24.29 4.37 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.17 1.388 . . . . 0.0 113.289 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.9 t -146.38 148.46 32.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.705 2.002 . . . . 0.0 109.848 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tp -120.3 131.77 55.04 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.739 1.615 . . . . 0.0 110.104 -172.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 t -78.4 151.36 32.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.58 -0.7 . . . . 0.0 111.814 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -60.22 -36.04 76.81 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.398 -2.064 . . . . 0.0 114.054 -171.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -79.84 -29.82 40.22 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.561 -1.337 . . . . 0.0 112.992 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.21 -38.65 91.12 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.646 1.578 . . . . 0.0 110.34 171.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.53 -45.1 92.14 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.533 1.933 . . . . 0.0 110.209 169.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -59.17 -36.73 75.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.561 -1.337 . . . . 0.0 111.96 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.69 -42.31 86.67 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.726 0.811 . . . . 0.0 111.81 173.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.06 -53.08 60.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.053 0.941 . . . . 0.0 110.438 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.96 -45.83 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.778 0.717 . . . . 0.0 111.468 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -66.03 -25.02 66.86 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.608 1.095 . . . . 0.0 113.59 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.9 -59.08 2.4 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.405 1.002 . . . . 0.0 113.003 170.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -3.63 58.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -136.14 49.64 2.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.21 2.204 . . . . 0.0 107.274 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -38.62 124.9 1.37 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 130.009 3.324 . . . . 0.0 113.487 -169.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -101.84 134.08 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.569 1.148 . . . . 0.0 109.686 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.29 42.95 2.21 Favored Glycine 0 N--CA 1.476 1.306 0 C-N-CA 125.006 1.288 . . . . 0.0 114.209 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 m 61.14 25.09 15.13 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.374 1.87 . . . . 0.0 114.375 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.66 170.1 15.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.463 1.505 . . . . 0.0 113.159 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.55 -1.95 17.94 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.546 1.538 . . . . 0.0 113.952 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -53.54 -24.68 14.14 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.491 1.916 . . . . 0.0 113.466 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.57 -24.96 64.17 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.018 -1.051 . . . . 0.0 113.219 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.04 -29.56 69.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.384 1.074 . . . . 0.0 112.767 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -81.25 -33.02 33.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.688 0.795 . . . . 0.0 110.509 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.1 -42.38 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.22 -0.925 . . . . 0.0 112.114 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -64.32 -30.34 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 120.364 1.438 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -76.53 -35.99 57.97 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.089 0.859 . . . . 0.0 112.995 171.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.57 -34.24 77.45 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.175 -0.953 . . . . 0.0 111.928 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 ttp -60.11 -41.64 93.0 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.199 1.4 . . . . 0.0 111.21 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.25 -37.18 86.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.363 1.065 . . . . 0.0 112.541 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -72.91 -17.76 61.48 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 172.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -81.3 -46.69 14.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.766 1.227 . . . . 0.0 110.62 169.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.09 -22.77 61.34 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.51 1.524 . . . . 0.0 113.066 170.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -59.37 -22.97 62.14 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 113.162 172.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -73.32 -45.59 54.48 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.57 -0.706 . . . . 0.0 111.885 173.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -161.59 137.13 7.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.589 1.556 . . . . 0.0 112.379 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.98 126.85 28.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.623 1.569 . . . . 0.0 113.504 -173.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 74.26 -44.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 129.399 3.08 . . . . 0.0 113.447 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.24 139.19 50.8 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.363 1.065 . . . . 0.0 111.962 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.11 126.08 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 127.346 2.258 . . . . 0.0 109.007 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -76.84 154.61 33.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.806 -0.559 . . . . 0.0 110.85 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -46.85 -46.05 20.67 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.91 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.087 -1.008 . . . . 0.0 111.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.48 -34.35 72.28 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.631 1.172 . . . . 0.0 111.567 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.35 -44.66 87.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.686 1.594 . . . . 0.0 111.567 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.18 -44.02 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.411 1.005 . . . . 0.0 110.29 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.2 m -59.03 -46.71 87.53 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.709 1.203 . . . . 0.0 111.176 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -66.63 -37.06 84.06 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.843 0.457 . . . . 0.0 112.206 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.22 -29.08 69.26 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.39 0.995 . . . . 0.0 112.388 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.59 86.6 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.109 0.862 . . . . 0.0 112.817 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.13 85.17 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.111 0.956 . . . . 0.0 112.056 170.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.62 -40.84 88.9 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.303 1.441 . . . . 0.0 111.477 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.38 -29.97 71.03 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.077 0.951 . . . . 0.0 113.492 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 tpt -74.22 -27.71 60.92 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.994 0.918 . . . . 0.0 112.922 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.9 mm -54.93 -40.67 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 110.721 169.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -76.52 42.93 0.3 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.416 1.886 . . . . 0.0 113.616 -171.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.95 -13.62 2.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.816 2.847 . . . . 0.0 117.027 -169.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.92 -31.91 72.26 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 120.558 1.526 . . . . 0.0 111.096 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.39 53.46 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.1 mt -90.78 8.73 33.2 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.533 1.933 . . . . 0.0 112.286 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -146.17 -18.13 0.44 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.423 1.889 . . . . 0.0 114.133 175.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 127.575 2.512 . . . . 0.0 113.394 169.786 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 119.175 -0.441 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 -53.52 47.32 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.204 1.927 . . . . 0.0 116.204 -170.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.6 p -54.98 -34.75 26.88 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -169.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -69.11 -33.57 18.77 Favored 'Trans proline' 0 C--N 1.356 0.944 0 CA-C-N 123.595 2.32 . . . . 0.0 113.202 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.55 -46.35 39.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.338 1.427 . . . . 0.0 110.521 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.32 -36.05 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.415 0.686 . . . . 0.0 112.406 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -74.76 -30.23 61.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.416 -0.802 . . . . 0.0 112.703 172.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.75 68.16 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.783 1.174 . . . . 0.0 112.172 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.86 -27.36 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.129 -0.982 . . . . 0.0 111.964 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.77 -35.36 79.85 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.526 1.06 . . . . 0.0 112.766 170.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -47.81 83.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.311 1.444 . . . . 0.0 110.758 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.87 -36.96 82.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.043 0.937 . . . . 0.0 112.07 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.56 -44.67 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.234 0.924 . . . . 0.0 110.925 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.39 95.9 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.28 0.943 . . . . 0.0 113.323 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -36.28 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 117.877 0.839 . . . . 0.0 111.477 172.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.62 -51.03 9.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.017 0.927 . . . . 0.0 112.801 -173.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.27 -25.87 63.55 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -55.17 -42.03 72.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.261 1.024 . . . . 0.0 111.518 169.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -82.3 -36.12 27.29 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.652 1.181 . . . . 0.0 113.701 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 96.6 p -66.48 -39.57 88.83 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.981 -1.074 . . . . 0.0 111.711 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.74 -19.77 73.54 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.944 1.259 . . . . 0.0 114.424 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -64.1 -44.37 92.49 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.975 1.387 . . . . 0.0 111.354 170.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -85.32 -16.95 38.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.795 1.238 . . . . 0.0 112.417 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.18 16.5 43.76 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.558 1.551 . . . . 0.0 113.649 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -87.0 142.56 27.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 112.813 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -75.07 -35.17 61.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -171.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -163.69 19.6 0.07 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -174.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.9 p -126.61 153.23 45.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.175 1.39 . . . . 0.0 112.505 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 140.37 50.9 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.966 1.306 . . . . 0.0 108.534 169.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -78.11 162.3 26.76 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.799 -0.563 . . . . 0.0 109.696 169.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -56.89 -33.88 67.33 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.792 -1.193 . . . . 0.0 112.885 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -68.85 -41.87 77.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.695 1.198 . . . . 0.0 112.838 170.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -75.21 -26.34 58.9 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.128 -0.982 . . . . 0.0 111.884 -176.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -45.94 86.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.086 0.954 . . . . 0.0 109.546 169.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -59.61 -40.92 89.12 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.181 -0.949 . . . . 0.0 111.534 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.35 -51.37 69.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.961 0.904 . . . . 0.0 111.775 171.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.27 -50.72 64.25 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.134 0.973 . . . . 0.0 111.211 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.11 -47.85 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 118.368 0.531 . . . . 0.0 111.456 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.94 -19.02 59.11 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.43 -51.2 6.06 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.006 1.276 . . . . 0.0 113.051 169.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.55 -43.44 13.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.464 0.575 . . . . 0.0 111.876 -169.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.2 mt -83.89 -36.88 23.05 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.576 0.626 . . . . 0.0 110.724 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 68.28 26.63 6.84 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.331 1.853 . . . . 0.0 111.191 171.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 tt -68.27 -23.66 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.242 1.817 . . . . 0.0 114.092 -170.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.05 16.7 1.07 Allowed Glycine 0 CA--C 1.539 1.542 0 C-N-CA 126.139 1.828 . . . . 0.0 115.133 175.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 62.8 p -66.25 -2.19 4.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.393 1.877 . . . . 0.0 115.532 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -153.79 28.45 0.48 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.914 1.286 . . . . 0.0 114.039 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 70.8 mt 66.47 38.6 4.19 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.534 1.934 . . . . 0.0 114.35 169.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -104.2 15.21 28.88 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 173.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.06 -28.44 64.55 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.678 -1.264 . . . . 0.0 113.54 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.48 -28.79 68.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.017 1.327 . . . . 0.0 112.878 171.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -80.31 -37.22 33.09 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.171 0.988 . . . . 0.0 110.477 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.08 -39.07 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.22 -0.925 . . . . 0.0 112.279 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.77 -27.6 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.183 0.901 . . . . 0.0 112.606 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -76.09 -35.69 59.25 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.078 0.854 . . . . 0.0 112.595 171.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.29 -39.66 95.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.901 0.773 . . . . 0.0 111.346 169.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -62.25 -38.94 91.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.468 1.107 . . . . 0.0 111.384 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.51 -39.48 94.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.173 0.989 . . . . 0.0 112.463 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -72.37 -20.34 61.47 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.984 1.265 . . . . 0.0 113.995 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.05 -46.14 17.08 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.691 1.197 . . . . 0.0 110.836 169.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.94 -35.47 75.01 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.347 1.059 . . . . 0.0 112.813 173.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -57.37 -27.54 62.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.05 2.14 . . . . 0.0 113.095 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -83.5 -7.14 59.59 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.119 0.968 . . . . 0.0 113.343 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -147.44 -135.72 0.08 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.825 1.65 . . . . 0.0 111.429 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -160.59 100.71 1.32 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.455 1.102 . . . . 0.0 110.175 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 74.04 -28.27 0.19 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.563 2.745 . . . . 0.0 112.91 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.65 144.22 50.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.636 1.974 . . . . 0.0 107.877 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 127.48 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.05 1.74 . . . . 0.0 107.794 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -78.99 158.03 28.01 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.08 0.552 . . . . 0.0 111.523 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -49.15 -44.54 42.79 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.154 1.382 . . . . 0.0 114.528 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -62.64 -43.32 99.1 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.632 -0.667 . . . . 0.0 111.657 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.87 -31.19 63.04 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.77 0.828 . . . . 0.0 111.877 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -60.57 -46.12 91.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 110.745 169.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.2 -35.09 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.067 -1.021 . . . . 0.0 111.988 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.9 m -56.13 -44.6 79.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 110.526 173.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.01 -37.74 81.79 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 173.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.11 -20.6 59.02 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.738 1.153 . . . . 0.0 112.289 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.94 -39.54 93.32 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-N 119.892 1.224 . . . . 0.0 112.648 169.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.86 71.23 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.453 1.126 . . . . 0.0 112.157 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.4 -45.03 92.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.298 0.639 . . . . 0.0 111.368 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.83 74.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 0.0 112.177 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.3 mtp -69.67 -20.85 63.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 172.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -69.34 -26.74 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 120.01 1.277 . . . . 0.0 112.204 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -78.3 53.0 1.19 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.989 1.316 . . . . 0.0 111.24 169.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -53.42 -36.36 61.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.771 1.628 . . . . 0.0 114.567 -169.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -62.24 -30.88 71.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.653 0.781 . . . . 0.0 112.901 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.81 63.14 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.253 -0.904 . . . . 0.0 112.51 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.96 -42.58 63.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.275 1.03 . . . . 0.0 110.282 172.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -73.19 -35.71 66.42 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.466 0.707 . . . . 0.0 112.808 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.214 0 C-N-CA 125.979 1.752 . . . . 0.0 114.307 177.827 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -134.2 160.62 37.3 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.054 1.742 . . . . 0.0 111.574 -176.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 79.07 -178.15 53.78 Favored Glycine 0 N--CA 1.471 1.003 0 C-N-CA 125.034 1.302 . . . . 0.0 113.443 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.62 -34.34 72.65 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.991 -0.711 . . . . 0.0 112.747 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.4 -27.41 64.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.867 1.267 . . . . 0.0 112.59 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -63.76 -24.66 67.85 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.91 -36.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.028 1.731 . . . . 0.0 109.702 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.78 -28.86 66.1 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.569 1.548 . . . . 0.0 111.914 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -55.36 -27.22 45.9 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.946 -1.096 . . . . 0.0 113.115 172.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -71.96 -10.83 60.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.19 0.996 . . . . 0.0 113.538 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 21.8 mt -99.63 -25.26 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.506 2.322 . . . . 0.0 111.156 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -51.95 -42.83 63.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.46 -3.34 46.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.321 1.449 . . . . 0.0 114.0 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -101.36 -36.62 8.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.632 1.573 . . . . 0.0 111.695 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -85.87 16.15 43.61 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.499 1.523 . . . . 0.0 114.197 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.63 154.69 35.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.306 1.443 . . . . 0.0 114.012 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 21.0 t70 72.03 -31.66 0.23 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 129.336 3.054 . . . . 0.0 115.674 171.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -85.05 -22.0 29.18 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.993 1.27 . . . . 0.0 113.587 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.35 -48.94 79.6 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.66 0.784 . . . . 0.0 111.65 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -62.27 -30.98 71.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.884 -1.135 . . . . 0.0 113.07 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -77.64 -24.05 49.56 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.261 1.024 . . . . 0.0 111.641 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 54.1 m -78.25 -52.89 7.98 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.569 1.948 . . . . 0.0 110.79 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.21 -35.76 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.2 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -55.27 -58.97 5.52 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.236 0.925 . . . . 0.0 112.018 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.72 -38.45 91.14 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.966 -1.084 . . . . 0.0 112.794 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.84 -38.08 84.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.663 0.785 . . . . 0.0 112.839 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.47 -38.54 71.23 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.695 -0.628 . . . . 0.0 111.741 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 45.2 t -71.15 -30.88 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.85 1.26 . . . . 0.0 114.071 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -2.47 8.49 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -169.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 5.5 p -87.44 -9.8 53.67 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 119.786 -1.821 . . . . 0.0 114.134 172.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.184 0 C-N-CA 125.792 1.637 . . . . 0.0 112.174 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -72.49 154.29 40.92 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.127 0.971 . . . . 0.0 111.783 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 104.66 -148.29 16.62 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.633 1.587 . . . . 0.0 112.583 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.02 -32.08 63.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 11.3 mmt -53.1 -33.81 53.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.418 1.087 . . . . 0.0 112.56 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.11 -19.18 64.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.7 t -97.0 -40.35 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.153 1.381 . . . . 0.0 108.553 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.95 -34.86 78.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.895 1.678 . . . . 0.0 112.035 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.01 -29.42 70.26 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 112.836 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -65.78 -26.82 67.88 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.647 -1.283 . . . . 0.0 112.427 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 9.8 mm -79.0 -39.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.888 1.275 . . . . 0.0 110.837 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -58.52 -36.78 74.36 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.289 -0.882 . . . . 0.0 112.731 173.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.13 -3.02 4.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.03 1.332 . . . . 0.0 114.556 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -108.51 -47.65 3.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.524 1.53 . . . . 0.0 110.401 168.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 64.43 -156.4 45.71 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.514 1.53 . . . . 0.0 116.413 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -159.16 145.6 16.73 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.359 1.864 . . . . 0.0 111.234 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.7 -41.64 21.03 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -73.49 -25.77 60.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.46 -56.51 16.32 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.328 1.051 . . . . 0.0 109.865 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -63.99 -25.72 68.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.83 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -69.43 -37.51 77.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.708 1.595 . . . . 0.0 111.813 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 96.9 m -68.97 -42.85 76.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.306 1.442 . . . . 0.0 111.45 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.21 -51.11 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.094 0.558 . . . . 0.0 110.927 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -56.8 -50.12 73.32 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.672 0.669 . . . . 0.0 112.112 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.18 -35.24 80.16 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.18 89.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.309 0.958 . . . . 0.0 112.427 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -68.4 -36.22 78.81 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.452 -0.78 . . . . 0.0 111.879 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.32 -36.25 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.322 1.049 . . . . 0.0 111.861 171.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.49 -32.25 69.69 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.367 1.067 . . . . 0.0 111.819 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 8.3 t -77.77 -10.35 59.5 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.155 1.382 . . . . 0.0 114.358 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.804 1.642 . . . . 0.0 113.499 -174.084 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 119.868 -0.111 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.88 -43.46 0.56 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.24 3.016 . . . . 0.0 114.703 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -59.22 -29.98 6.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -66.76 -36.56 23.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.234 1.956 . . . . 0.0 112.62 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -78.17 -40.13 38.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.759 0.709 . . . . 0.0 110.967 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.09 -42.96 73.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.193 1.397 . . . . 0.0 112.531 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.49 -22.1 60.24 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.09 -47.69 14.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.809 0.844 . . . . 0.0 112.187 174.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.4 pt -63.61 -33.65 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.146 -0.971 . . . . 0.0 110.992 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.07 71.81 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.693 1.14 . . . . 0.0 113.729 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -49.6 58.0 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.868 1.334 . . . . 0.0 110.058 174.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.2 -39.94 84.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.369 1.068 . . . . 0.0 111.379 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.93 -48.37 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.066 0.848 . . . . 0.0 110.873 171.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.91 -24.84 73.12 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.478 1.037 . . . . 0.0 113.703 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.21 -47.43 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.079 1.352 . . . . 0.0 111.362 169.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.08 -55.93 5.82 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -69.81 -23.91 63.39 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -169.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -50.2 -44.6 53.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.94 1.296 . . . . 0.0 111.711 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -80.91 -30.81 35.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.684 1.194 . . . . 0.0 113.027 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -64.52 -31.92 73.34 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.353 -0.842 . . . . 0.0 112.868 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.34 -9.28 79.79 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.98 1.276 . . . . 0.0 113.964 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -71.47 -38.93 71.21 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.085 1.443 . . . . 0.0 112.86 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -156.36 154.68 30.93 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.216 1.406 . . . . 0.0 111.176 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.9 -151.56 35.64 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 123.833 0.73 . . . . 0.0 112.898 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.7 157.43 44.4 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.52 1.528 . . . . 0.0 111.893 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt 75.29 163.15 0.26 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.621 2.368 . . . . 0.0 113.423 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 61.24 2.11 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.044 1.737 . . . . 0.0 113.536 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -131.96 157.93 42.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.503 1.921 . . . . 0.0 111.209 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 99.0 mt -126.69 133.37 50.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.325 1.85 . . . . 0.0 108.327 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.2 p -79.2 175.15 10.85 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.61 -0.681 . . . . 0.0 112.666 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -31.68 63.54 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 175.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -80.6 -46.35 15.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.387 -0.821 . . . . 0.0 111.39 169.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.69 -30.4 71.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.807 0.731 . . . . 0.0 112.956 -174.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -50.25 69.85 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.562 -0.711 . . . . 0.0 110.46 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.25 -30.11 71.31 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.217 -0.927 . . . . 0.0 112.692 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.66 -49.27 75.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.942 0.897 . . . . 0.0 110.57 173.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.35 -52.99 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.718 0.807 . . . . 0.0 110.796 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.76 -49.02 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.899 0.772 . . . . 0.0 111.625 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.25 -27.59 64.57 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.477 1.035 . . . . 0.0 112.766 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -87.16 -38.85 16.05 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.62 -51.86 5.66 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 111.851 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.83 68.96 10.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.497 1.119 . . . . 0.0 109.086 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 p -76.06 73.48 2.92 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.099 1.76 . . . . 0.0 112.098 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.7 pt -71.59 5.27 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 126.735 2.014 . . . . 0.0 114.235 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.92 158.83 24.46 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 126.242 1.877 . . . . 0.0 112.617 -175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 t -79.96 102.9 9.49 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.126 -0.632 . . . . 0.0 110.511 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -160.7 143.23 12.85 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.616 1.567 . . . . 0.0 111.381 -174.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.7 tp -79.29 110.01 14.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.62 0.768 . . . . 0.0 111.251 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -155.23 21.9 0.42 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.803 1.241 . . . . 0.0 112.904 174.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.88 -26.55 64.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.62 -1.3 . . . . 0.0 113.151 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -27.94 68.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 113.268 170.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -80.79 -41.35 23.52 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.351 1.061 . . . . 0.0 110.318 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.3 mm -70.02 -33.5 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.84 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.96 -29.93 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 119.962 1.255 . . . . 0.0 112.089 171.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -76.19 -36.28 58.72 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.438 1.017 . . . . 0.0 111.88 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.14 -42.79 99.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.713 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -60.8 -37.9 83.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.033 0.933 . . . . 0.0 111.672 172.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.59 -31.85 70.25 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.515 1.126 . . . . 0.0 113.207 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -74.09 -26.26 60.27 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.181 -0.95 . . . . 0.0 112.673 171.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.92 -56.43 5.72 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 110.105 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -66.23 -18.23 65.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.215 2.206 . . . . 0.0 114.375 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -22.13 4.79 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.429 1.492 . . . . 0.0 112.459 169.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.77 -8.2 59.11 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -144.8 -98.63 0.1 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 120.398 1.454 . . . . 0.0 114.058 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.71 -55.64 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.959 1.254 . . . . 0.0 113.78 -169.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -157.05 27.75 0.31 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.005 1.722 . . . . 0.0 111.685 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.64 169.01 20.81 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.263 1.825 . . . . 0.0 111.814 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.63 122.84 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.585 1.154 . . . . 0.0 110.281 169.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.38 163.05 20.83 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.513 173.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.15 -44.93 71.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -63.07 -45.34 92.63 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.699 0.681 . . . . 0.0 110.665 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -71.75 -34.89 69.87 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.89 1.276 . . . . 0.0 111.404 -173.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.21 -39.43 82.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.174 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 mt -74.57 -36.52 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.15 -0.968 . . . . 0.0 112.326 175.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -54.21 -42.34 69.66 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.942 1.246 . . . . 0.0 111.443 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -69.32 -39.32 78.3 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.57 -20.65 64.91 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 172.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.08 96.32 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 119.479 1.036 . . . . 0.0 111.927 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.67 -36.66 65.36 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.982 0.891 . . . . 0.0 112.382 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.01 -35.43 79.91 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.496 0.589 . . . . 0.0 111.657 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.25 76.72 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.509 0.724 . . . . 0.0 110.688 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.61 -29.71 69.39 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.109 1.364 . . . . 0.0 114.02 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 tp -59.4 -31.55 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.12 0.873 . . . . 0.0 112.527 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -77.1 54.3 1.04 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.063 1.345 . . . . 0.0 111.695 169.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -52.5 -26.57 13.38 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -173.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -79.64 -18.07 52.31 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.073 1.306 . . . . 0.0 113.688 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -40.82 64.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.558 1.143 . . . . 0.0 109.347 169.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.72 -28.8 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.171 1.388 . . . . 0.0 112.273 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -65.21 -34.81 79.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.887 0.875 . . . . 0.0 112.597 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.895 1.712 . . . . 0.0 111.969 -177.31 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 119.31 -0.376 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.71 -22.78 37.17 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -57.17 -34.19 24.24 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.199 1.926 . . . . 0.0 116.199 -174.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.55 -36.58 52.88 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.317 2.678 . . . . 0.0 113.01 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.41 -40.22 44.33 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.95 0.796 . . . . 0.0 111.191 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -59.9 -39.9 86.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.948 0.899 . . . . 0.0 112.232 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -73.93 -22.3 59.72 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.17 -49.83 13.09 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.781 1.173 . . . . 0.0 112.298 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.38 -32.21 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.126 0.876 . . . . 0.0 111.294 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.32 -22.81 74.85 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.198 1.38 . . . . 0.0 113.903 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -48.01 61.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.166 1.483 . . . . 0.0 109.847 175.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.89 -39.85 90.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.956 0.902 . . . . 0.0 111.416 175.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.67 -44.8 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.61 0.641 . . . . 0.0 110.769 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 -28.48 73.81 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.355 0.978 . . . . 0.0 113.775 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.3 mt -79.23 -48.46 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.634 1.174 . . . . 0.0 112.004 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -77.53 -52.27 9.33 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.975 0.91 . . . . 0.0 113.004 -170.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.99 -19.38 60.67 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.662 -0.649 . . . . 0.0 112.666 -172.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.12 -41.17 96.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.76 0.824 . . . . 0.0 109.781 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -34.13 35.67 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -174.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -67.38 -5.64 15.46 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.6 -7.34 84.59 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 118.835 -0.981 . . . . 0.0 114.59 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -77.38 -42.8 35.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.481 1.641 . . . . 0.0 112.449 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -138.86 -28.98 0.79 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.017 1.327 . . . . 0.0 113.511 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.92 -156.19 9.61 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.958 1.266 . . . . 0.0 113.41 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.83 -51.62 0.05 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.701 1.2 . . . . 0.0 112.343 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -86.81 -162.64 0.8 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.316 1.046 . . . . 0.0 112.032 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -73.88 50.52 0.36 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.31 1.844 . . . . 0.0 113.571 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t -150.6 152.97 34.87 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.684 1.594 . . . . 0.0 111.093 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -121.29 143.77 48.99 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.801 1.641 . . . . 0.0 109.9 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.0 m -77.2 154.74 32.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.624 -1.297 . . . . 0.0 109.314 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -56.14 -40.28 73.55 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.083 -1.636 . . . . 0.0 113.953 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -78.44 -22.52 47.52 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -68.49 -43.49 76.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.018 1.327 . . . . 0.0 109.801 171.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.01 -44.89 95.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.249 1.42 . . . . 0.0 111.313 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -55.93 -40.23 72.82 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.169 -0.957 . . . . 0.0 111.347 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.09 -43.68 81.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 117.96 -1.019 . . . . 0.0 112.162 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.81 -52.53 40.32 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.929 1.24 . . . . 0.0 110.582 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.86 -46.88 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 118.6 -0.714 . . . . 0.0 111.599 -175.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -78.17 -11.17 59.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -88.79 -53.56 4.56 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.356 0.98 . . . . 0.0 112.171 169.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -88.68 -40.4 13.31 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.423 1.489 . . . . 0.0 114.109 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.23 23.49 11.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.901 1.68 . . . . 0.0 112.367 -169.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -43.12 126.28 3.93 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 128.499 2.72 . . . . 0.0 113.68 -169.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 pt -98.36 166.22 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.883 1.273 . . . . 0.0 111.323 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.49 158.57 35.52 Favored Glycine 0 N--CA 1.473 1.146 0 C-N-CA 124.544 1.068 . . . . 0.0 114.605 -170.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -78.45 22.11 0.35 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -172.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -73.5 -176.84 2.43 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.44 1.896 . . . . 0.0 112.471 169.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 47.2 tp -71.18 102.97 2.65 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.924 0.889 . . . . 0.0 109.029 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.1 -13.68 0.22 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.94 1.296 . . . . 0.0 114.447 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -61.32 -35.81 78.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.612 -1.305 . . . . 0.0 112.204 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.74 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.084 1.353 . . . . 0.0 113.382 171.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -81.73 -38.57 25.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.791 0.836 . . . . 0.0 110.907 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.81 -41.77 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 111.66 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.62 -25.84 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.905 1.23 . . . . 0.0 112.296 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -78.2 -32.21 49.89 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.433 1.015 . . . . 0.0 112.968 170.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.41 -40.73 85.6 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.867 -1.146 . . . . 0.0 111.593 170.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.68 -42.85 97.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.641 1.576 . . . . 0.0 111.254 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.15 -43.02 96.06 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.957 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.8 -45.3 93.27 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.968 1.258 . . . . 0.0 112.168 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.31 -41.97 97.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.139 1.375 . . . . 0.0 112.352 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.25 -41.12 90.43 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.161 1.384 . . . . 0.0 112.807 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -70.39 -20.98 62.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.393 1.877 . . . . 0.0 112.737 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.14 -28.91 64.62 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.509 0.724 . . . . 0.0 112.031 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -107.03 -129.36 0.28 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.94 1.696 . . . . 0.0 109.925 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.13 -17.97 0.57 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -174.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -172.8 -32.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.198 1.399 . . . . 0.0 112.067 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.15 141.63 51.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.096 1.759 . . . . 0.0 106.51 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.7 t -84.27 102.42 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.448 1.899 . . . . 0.0 108.854 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -78.29 149.55 33.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.513 0.725 . . . . 0.0 111.759 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -53.52 -40.55 65.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.273 1.429 . . . . 0.0 114.777 -175.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -71.49 -35.46 70.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.849 1.204 . . . . 0.0 111.999 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.56 -34.79 67.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.942 0.897 . . . . 0.0 111.791 175.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.79 -45.41 93.97 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.856 1.263 . . . . 0.0 111.404 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.4 mt -68.47 -38.21 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 118.672 -0.68 . . . . 0.0 111.495 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 67.5 m -58.73 -45.4 89.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.255 0.934 . . . . 0.0 111.0 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.08 -42.27 99.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.67 0.788 . . . . 0.0 111.96 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.81 -23.15 67.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.258 0.935 . . . . 0.0 112.89 173.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.6 64.94 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 119.434 1.015 . . . . 0.0 112.701 170.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.43 71.41 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.134 0.967 . . . . 0.0 112.204 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.52 -41.73 92.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.77 0.828 . . . . 0.0 110.642 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.77 71.68 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.327 1.051 . . . . 0.0 112.048 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.2 ttm -72.81 -31.8 65.08 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.513 1.125 . . . . 0.0 113.136 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 tp -61.97 -28.39 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -174.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -62.84 -17.14 60.98 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 67.63 -59.8 0.4 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 129.238 3.015 . . . . 0.0 114.698 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.99 -33.8 76.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.704 1.202 . . . . 0.0 111.673 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.49 72.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.028 0.931 . . . . 0.0 113.008 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.99 15.62 18.34 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -121.3 -39.74 2.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.798 1.239 . . . . 0.0 112.948 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.273 0 C-N-CA 125.411 1.482 . . . . 0.0 113.578 -178.763 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -99.59 0.28 41.84 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.427 1.091 . . . . 0.0 113.854 -169.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -63.15 -21.67 64.21 Favored Glycine 0 N--CA 1.474 1.193 0 C-N-CA 124.481 1.038 . . . . 0.0 113.861 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.99 -65.24 0.72 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.033 1.333 . . . . 0.0 109.019 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -53.52 -32.16 49.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.923 1.289 . . . . 0.0 112.215 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.07 -20.49 62.65 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 70.4 t -96.75 -35.54 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 120.18 1.354 . . . . 0.0 109.59 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.18 -31.86 66.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.277 1.831 . . . . 0.0 112.257 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.54 -28.57 68.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.324 1.049 . . . . 0.0 112.86 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -64.78 -21.74 66.84 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.541 1.136 . . . . 0.0 112.937 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.96 -48.04 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.068 1.347 . . . . 0.0 110.581 170.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -51.41 -41.46 60.76 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.694 1.198 . . . . 0.0 113.799 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -81.74 -2.75 51.73 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.814 1.246 . . . . 0.0 113.606 -175.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -110.87 -38.46 5.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 113.387 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.28 151.41 51.77 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.827 1.203 . . . . 0.0 114.08 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.83 154.53 41.21 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.018 1.327 . . . . 0.0 113.366 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -79.33 36.41 0.3 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.931 2.092 . . . . 0.0 113.41 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -71.92 -34.27 68.94 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.731 -1.23 . . . . 0.0 113.387 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 54.6 ttm -62.89 -47.0 85.2 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.697 0.68 . . . . 0.0 110.55 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -11.3 32.94 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -89.77 -44.04 10.26 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.391 0.996 . . . . 0.0 111.185 169.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.5 m -69.7 -37.92 76.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.502 1.521 . . . . 0.0 112.99 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.33 -39.72 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.824 0.849 . . . . 0.0 111.773 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.06 -48.81 78.99 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.944 0.793 . . . . 0.0 111.362 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.05 -49.4 78.04 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.328 -0.857 . . . . 0.0 111.656 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.85 68.98 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -79.79 -43.1 23.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.799 0.84 . . . . 0.0 111.686 172.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 42.4 t -73.55 -30.49 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.981 0.912 . . . . 0.0 113.149 -173.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.14 -2.31 12.63 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 5.0 m -68.78 -13.69 62.56 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.469 1.108 . . . . 0.0 113.437 172.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.612 1.965 . . . . 0.0 113.803 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.555 0.205 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -158.63 142.66 15.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.255 1.422 . . . . 0.0 110.304 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -80.54 142.3 23.64 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.232 0.92 . . . . 0.0 112.339 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.83 -25.55 63.31 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.293 1.037 . . . . 0.0 113.768 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.41 -29.35 15.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.305 1.442 . . . . 0.0 112.883 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.84 -15.83 63.88 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.57 -37.83 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.459 1.904 . . . . 0.0 110.346 173.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -66.85 -25.85 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.554 1.142 . . . . 0.0 111.937 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.73 -27.21 62.79 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.311 -0.868 . . . . 0.0 112.746 170.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -70.85 -16.1 62.68 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.07 0.948 . . . . 0.0 112.699 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.86 -41.74 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.375 1.47 . . . . 0.0 110.48 169.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -50.7 -42.97 57.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.07 0.948 . . . . 0.0 113.234 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.25 -4.47 22.0 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -79.45 -20.0 48.51 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.034 0.934 . . . . 0.0 112.514 170.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 98.88 -171.34 24.71 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.904 1.716 . . . . 0.0 114.542 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -164.32 164.8 22.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.513 2.325 . . . . 0.0 110.593 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.25 -38.62 0.09 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.13 -19.45 60.57 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 22.5 mmt -54.02 -50.46 66.59 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.376 1.07 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -65.39 -26.54 68.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.863 0.865 . . . . 0.0 113.247 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -83.38 -27.02 29.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.797 1.239 . . . . 0.0 112.282 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 30.3 m -91.82 -48.27 6.88 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.068 1.347 . . . . 0.0 111.512 -177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 88.8 mt -75.2 -46.7 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.735 0.814 . . . . 0.0 111.439 -169.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -59.53 -41.18 89.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.671 1.123 . . . . 0.0 111.679 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.7 -53.99 51.31 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.444 0.698 . . . . 0.0 111.379 173.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.76 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -83.02 -30.82 27.81 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.855 1.262 . . . . 0.0 113.224 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 75.7 t -96.45 -16.97 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.861 1.264 . . . . 0.0 113.422 -173.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.65 -6.17 49.1 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 44.3 p -81.95 -5.36 58.24 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -171.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.333 1.453 . . . . 0.0 112.694 -171.629 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.0 mmm . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.43 16.7 0.21 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.861 1.264 . . . . 0.0 113.555 -169.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 p -38.21 -49.92 3.33 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -169.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.96 -36.24 31.41 Favored 'Trans proline' 0 C--N 1.355 0.88 0 CA-C-N 122.617 1.97 . . . . 0.0 112.729 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.09 -39.49 25.6 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.436 1.016 . . . . 0.0 111.96 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.39 -38.05 82.72 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.891 1.276 . . . . 0.0 112.203 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -73.84 -23.9 59.69 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 173.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.42 -48.75 12.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.685 1.13 . . . . 0.0 112.622 175.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.9 pt -63.02 -35.27 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.87 -1.144 . . . . 0.0 110.586 172.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -27.31 71.28 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 124.818 1.199 . . . . 0.0 113.113 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -49.75 58.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.674 1.737 . . . . 0.0 110.15 173.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.63 -43.37 89.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.403 0.681 . . . . 0.0 110.917 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -66.65 -41.98 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.883 0.765 . . . . 0.0 110.934 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.63 89.71 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.511 1.053 . . . . 0.0 112.626 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mt -66.19 -35.13 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.214 1.007 . . . . 0.0 111.905 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -65.87 -53.55 38.24 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.33 0.968 . . . . 0.0 111.154 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.27 -26.86 64.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -51.85 -48.59 63.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.775 1.23 . . . . 0.0 111.537 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.461 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 50.8 m-85 -81.84 -36.42 28.29 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p -67.39 -30.87 70.76 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 121.098 1.772 . . . . 0.0 112.742 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 -8.75 59.41 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.764 1.173 . . . . 0.0 114.811 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HE3' ' CD2' ' A' ' 19' ' ' TYR . 39.6 mttm -62.31 -52.8 62.24 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.037 1.419 . . . . 0.0 112.241 171.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -89.54 -7.1 55.63 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.318 0.647 . . . . 0.0 112.513 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.47 18.16 36.76 Favored Glycine 0 C--N 1.344 0.994 0 C-N-CA 124.913 1.244 . . . . 0.0 114.208 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.64 178.61 7.61 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.501 1.121 . . . . 0.0 111.777 174.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -121.01 -105.03 0.39 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.307 1.443 . . . . 0.0 111.778 -172.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.83 17.85 0.88 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -169.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -155.74 147.46 23.07 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.465 1.506 . . . . 0.0 111.896 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.6 154.35 35.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.986 1.714 . . . . 0.0 110.527 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -79.62 158.01 27.16 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.298 -0.876 . . . . 0.0 110.385 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -55.77 -39.53 71.35 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.506 -1.371 . . . . 0.0 113.69 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -31.0 63.38 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.035 -1.041 . . . . 0.0 113.784 176.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.75 -38.5 73.5 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.451 1.1 . . . . 0.0 110.413 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.4 -43.08 91.76 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.338 1.055 . . . . 0.0 110.395 169.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -57.61 -37.64 73.59 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.044 -1.035 . . . . 0.0 111.619 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.09 -40.3 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.723 0.809 . . . . 0.0 112.173 175.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -54.67 -51.23 66.13 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.486 1.039 . . . . 0.0 110.403 169.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.62 -50.81 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.587 0.631 . . . . 0.0 111.013 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.02 -28.39 69.77 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -86.68 -45.4 11.02 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.43 -43.16 12.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.822 0.849 . . . . 0.0 112.936 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -112.88 45.07 1.39 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.842 2.457 . . . . 0.0 110.014 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m -45.57 112.89 0.51 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.494 2.317 . . . . 0.0 113.631 -169.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 pp -80.51 73.76 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.358 1.063 . . . . 0.0 110.667 170.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.08 -9.93 49.71 Favored Glycine 0 N--CA 1.476 1.338 0 C-N-CA 124.672 1.129 . . . . 0.0 115.108 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 p -74.8 -16.88 60.69 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.804 1.642 . . . . 0.0 112.835 169.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt 71.39 -46.94 0.65 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 129.783 3.233 . . . . 0.0 113.808 175.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.91 -30.34 71.44 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.294 1.438 . . . . 0.0 112.848 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -74.67 -3.22 30.04 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.43 -25.21 61.95 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.915 -1.116 . . . . 0.0 112.499 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.41 71.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.894 1.278 . . . . 0.0 113.188 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.99 -33.19 33.92 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.475 0.58 . . . . 0.0 110.739 169.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.42 -40.78 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.286 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -27.82 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.642 1.565 . . . . 0.0 112.984 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.19 -40.33 59.4 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.996 0.817 . . . . 0.0 112.55 170.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.86 -34.0 77.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.858 0.863 . . . . 0.0 111.888 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.58 -39.18 87.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.089 1.356 . . . . 0.0 110.992 169.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.41 -36.85 83.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.337 0.971 . . . . 0.0 113.04 171.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -66.73 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.706 1.139 . . . . 0.0 112.657 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.33 -44.64 19.16 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.893 1.677 . . . . 0.0 112.416 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.09 -15.12 63.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.493 1.917 . . . . 0.0 113.238 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.66 -18.04 4.09 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.754 1.622 . . . . 0.0 113.817 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.12 -33.15 73.92 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -148.04 -19.55 0.35 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -170.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t0 66.75 50.38 1.15 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.311 1.844 . . . . 0.0 111.802 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 176.39 -41.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.261 2.624 . . . . 0.0 111.849 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -145.35 154.16 42.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.442 1.497 . . . . 0.0 111.232 -170.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.6 t -111.71 105.1 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 127.513 2.325 . . . . 0.0 108.649 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -82.45 151.89 26.35 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 112.276 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.85 -40.13 63.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.396 1.478 . . . . 0.0 114.687 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.13 -39.2 89.69 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.66 -0.65 . . . . 0.0 112.002 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.93 -40.38 75.55 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.844 0.458 . . . . 0.0 111.093 173.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -57.73 -46.13 84.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.201 1.0 . . . . 0.0 113.132 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -43.76 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 120.033 1.288 . . . . 0.0 111.206 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 m -57.15 -44.19 83.2 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.161 0.985 . . . . 0.0 110.853 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.82 -40.84 79.3 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.528 1.531 . . . . 0.0 112.344 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.56 -26.12 68.27 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.601 1.091 . . . . 0.0 111.88 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.08 -38.13 93.72 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 118.99 0.814 . . . . 0.0 112.565 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.0 74.07 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.989 0.895 . . . . 0.0 111.778 170.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.21 -43.08 87.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.133 -0.979 . . . . 0.0 111.007 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.74 99.3 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.579 1.152 . . . . 0.0 112.686 173.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 ptm -71.75 -24.26 61.74 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.621 1.101 . . . . 0.0 113.404 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.41 -27.74 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.922 0.889 . . . . 0.0 111.818 170.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -77.01 54.16 1.01 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 122.454 1.121 . . . . 0.0 110.657 168.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -44.57 -36.05 2.84 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.742 2.817 . . . . 0.0 115.739 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.27 -25.78 66.23 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.819 0.736 . . . . 0.0 112.532 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.08 -20.08 63.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.714 0.806 . . . . 0.0 112.667 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.5 -4.75 33.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.041 1.736 . . . . 0.0 112.467 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -87.69 -48.29 7.99 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.46 1.104 . . . . 0.0 109.824 169.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 C-N-CA 126.514 2.007 . . . . 0.0 115.189 175.46 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.428 0.156 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.3 21.67 0.08 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.717 2.407 . . . . 0.0 112.127 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.7 p -44.71 -42.07 13.68 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.45 -38.6 14.36 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 123.307 2.217 . . . . 0.0 113.132 -171.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.25 -39.99 22.23 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.06 0.845 . . . . 0.0 112.183 170.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.39 -39.19 82.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.68 0.673 . . . . 0.0 112.513 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.27 -30.83 71.87 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.7 0.682 . . . . 0.0 112.287 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.28 -49.1 12.03 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.906 0.882 . . . . 0.0 112.451 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.64 -30.86 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.087 0.858 . . . . 0.0 111.517 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.76 -35.35 90.84 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.479 1.514 . . . . 0.0 112.983 172.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.27 78.09 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.714 1.206 . . . . 0.0 110.563 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.86 -40.52 80.38 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.998 0.919 . . . . 0.0 111.654 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -46.0 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.703 1.138 . . . . 0.0 111.548 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.76 -36.68 92.58 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 123.829 0.728 . . . . 0.0 114.131 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.54 -44.0 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.921 1.361 . . . . 0.0 111.505 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -74.06 -54.99 6.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.387 0.994 . . . . 0.0 113.589 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -68.15 -24.41 64.99 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -46.68 -47.52 20.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.714 1.205 . . . . 0.0 112.37 169.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -82.62 -34.36 27.6 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.998 1.319 . . . . 0.0 113.487 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.6 m -61.52 -43.07 99.53 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.884 -1.135 . . . . 0.0 112.297 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.29 -16.62 67.27 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.492 1.044 . . . . 0.0 113.527 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.45 -34.47 65.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.204 1.002 . . . . 0.0 112.172 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -77.18 -40.31 45.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.342 0.657 . . . . 0.0 110.452 169.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.03 -18.14 33.21 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 126.507 2.004 . . . . 0.0 116.657 169.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.71 -44.02 19.39 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.132 1.466 . . . . 0.0 113.356 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -150.05 166.77 28.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.978 1.711 . . . . 0.0 112.109 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -74.43 58.03 0.73 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.229 1.812 . . . . 0.0 113.233 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -136.78 165.17 26.55 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.22 2.208 . . . . 0.0 110.677 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -129.07 122.23 29.53 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.975 1.31 . . . . 0.0 109.971 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -78.28 169.12 18.78 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.827 0.822 . . . . 0.0 110.653 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -53.02 -47.79 68.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.146 1.378 . . . . 0.0 114.598 -169.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.92 -32.0 70.06 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.18 -39.39 63.22 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.242 . . . . 0.0 111.457 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.64 -47.58 84.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.391 1.076 . . . . 0.0 110.499 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -57.76 -37.82 74.33 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.704 0.684 . . . . 0.0 112.406 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -64.69 -39.78 94.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.645 0.657 . . . . 0.0 112.428 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.04 -56.25 24.7 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.771 0.828 . . . . 0.0 110.291 169.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.92 -45.88 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 118.133 0.424 . . . . 0.0 111.125 -172.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.94 -20.3 59.74 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.838 0.744 . . . . 0.0 112.821 -175.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -86.17 -51.71 6.12 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.567 1.076 . . . . 0.0 113.398 169.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.74 -34.53 21.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.098 0.959 . . . . 0.0 112.279 -169.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 18.3 mt -117.84 45.11 2.03 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.795 2.038 . . . . 0.0 109.829 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.8 t -43.84 129.88 5.69 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.638 1.975 . . . . 0.0 114.755 -169.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 pt -92.15 1.02 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 127.837 2.455 . . . . 0.0 112.674 175.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.03 -44.54 2.37 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.757 1.646 . . . . 0.0 114.025 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.1 m -140.15 154.03 46.85 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.057 1.343 . . . . 0.0 112.89 -175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -73.83 68.59 1.31 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.829 1.651 . . . . 0.0 111.309 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 55.3 tp -140.64 -39.57 0.42 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.51 1.524 . . . . 0.0 113.982 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -79.65 -1.8 39.85 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.098 0.959 . . . . 0.0 112.537 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.36 -39.0 45.18 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.333 1.853 . . . . 0.0 113.905 -174.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.26 69.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.83 0.852 . . . . 0.0 113.179 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -81.35 -39.84 24.45 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.811 0.845 . . . . 0.0 110.698 169.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -63.0 -39.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.496 0.718 . . . . 0.0 112.082 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.92 -31.62 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.611 1.096 . . . . 0.0 112.435 175.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -78.47 -28.65 46.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.014 0.825 . . . . 0.0 112.557 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.91 -42.07 86.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.988 0.915 . . . . 0.0 109.838 168.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.07 -36.95 85.31 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.916 1.286 . . . . 0.0 111.19 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.13 -20.2 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.748 1.219 . . . . 0.0 113.515 172.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -80.63 -39.98 26.43 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 111.027 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.46 -38.57 77.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.219 1.408 . . . . 0.0 111.103 169.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.69 -31.44 69.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.037 1.335 . . . . 0.0 113.309 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 -71.55 -14.39 62.08 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.355 -0.841 . . . . 0.0 113.002 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.58 -27.96 26.9 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.409 1.004 . . . . 0.0 111.965 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -161.48 124.95 3.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.18 1.392 . . . . 0.0 112.952 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.49 131.6 51.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.607 1.563 . . . . 0.0 113.1 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.46 -63.51 0.3 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 128.237 2.615 . . . . 0.0 110.022 176.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.71 134.98 47.37 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.068 2.147 . . . . 0.0 109.934 -171.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.16 115.28 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.121 0.968 . . . . 0.0 111.855 -169.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -80.04 161.38 25.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.708 1.603 . . . . 0.0 112.061 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -49.57 -58.3 5.48 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -29.41 68.29 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.042 -1.036 . . . . 0.0 111.861 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -73.73 -32.88 64.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.39 2.276 . . . . 0.0 111.257 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -69.84 -40.24 75.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.167 1.387 . . . . 0.0 111.426 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.92 -32.24 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 120.789 -1.194 . . . . 0.0 111.589 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.0 m -59.74 -40.19 87.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.766 0.827 . . . . 0.0 111.131 172.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.75 -38.82 87.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.786 -0.626 . . . . 0.0 112.46 171.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -25.7 67.95 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.647 1.112 . . . . 0.0 112.067 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.31 86.21 Favored Glycine 0 N--CA 1.468 0.807 0 C-N-CA 124.12 0.867 . . . . 0.0 111.995 169.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.05 99.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.229 1.014 . . . . 0.0 112.059 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.54 -38.93 92.99 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.165 -0.96 . . . . 0.0 111.7 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.67 76.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.06 0.944 . . . . 0.0 112.984 171.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -71.37 -27.85 63.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.74 -37.26 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 0.0 110.797 169.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -74.74 46.79 0.3 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.069 1.348 . . . . 0.0 110.597 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.78 -30.7 34.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.69 2.796 . . . . 0.0 116.585 -168.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.97 -34.9 72.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.095 0.861 . . . . 0.0 112.265 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 -16.5 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -96.47 -26.61 15.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.287 1.435 . . . . 0.0 112.759 172.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -78.36 -38.31 42.27 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.941 0.792 . . . . 0.0 112.865 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.174 0 CA-C-O 118.173 -1.348 . . . . 0.0 113.327 175.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 119.173 -0.441 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.56 152.08 44.34 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.129 1.372 . . . . 0.0 111.518 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -138.61 -10.59 0.91 Allowed Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.387 1.47 . . . . 0.0 116.168 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.44 -42.8 78.71 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.83 2.315 . . . . 0.0 112.636 -177.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.48 67.0 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.395 1.078 . . . . 0.0 113.5 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -77.06 -23.43 52.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.933 1.242 . . . . 0.0 112.281 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.96 -45.5 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 109.159 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.25 -26.24 67.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.155 1.382 . . . . 0.0 112.173 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.8 -31.89 72.14 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.069 -1.019 . . . . 0.0 112.362 169.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -71.46 -17.7 62.35 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.15 -0.969 . . . . 0.0 112.769 174.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 29.0 mm -92.68 -35.17 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.638 1.575 . . . . 0.0 110.866 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -53.91 -41.35 67.57 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.259 1.423 . . . . 0.0 111.887 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.75 -4.94 34.51 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -97.53 -47.69 5.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.357 1.063 . . . . 0.0 109.6 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 29.77 -127.96 0.12 Allowed Glycine 0 C--N 1.343 0.945 0 C-N-CA 128.815 3.102 . . . . 0.0 117.035 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -167.26 -149.95 0.1 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.463 2.305 . . . . 0.0 110.132 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.26 -13.84 0.21 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.305 1.842 . . . . 0.0 113.605 -174.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.41 -19.64 66.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 19.6 mmt -48.5 -46.91 39.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.548 1.139 . . . . 0.0 112.465 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -63.94 -24.15 67.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -94.92 -19.95 19.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.936 1.695 . . . . 0.0 113.357 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 38.9 m -94.73 -51.57 4.66 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.688 1.195 . . . . 0.0 111.438 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.8 -40.28 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.945 0.898 . . . . 0.0 111.257 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.16 -65.75 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.499 1.12 . . . . 0.0 112.189 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -61.4 -36.72 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.329 -0.857 . . . . 0.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.11 77.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -80.5 -40.4 26.17 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.671 0.669 . . . . 0.0 111.979 172.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 19.4 t -69.25 -28.29 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.902 1.281 . . . . 0.0 113.577 -171.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.08 -17.24 64.57 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 58.8 m -87.41 -8.55 56.42 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 124.164 0.986 . . . . 0.0 112.922 -175.509 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -137.27 152.05 49.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.105 1.362 . . . . 0.0 110.913 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -93.2 158.17 23.66 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.807 1.194 . . . . 0.0 112.166 170.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -54.62 -39.9 68.39 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.451 1.101 . . . . 0.0 113.388 -173.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -27.69 33.65 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.277 1.431 . . . . 0.0 114.149 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.11 -8.8 58.71 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.562 1.074 . . . . 0.0 113.648 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.48 -39.15 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.643 1.577 . . . . 0.0 109.036 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.67 -39.02 86.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.317 1.447 . . . . 0.0 111.077 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.84 -36.96 50.09 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.311 1.444 . . . . 0.0 112.971 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.4 -25.17 66.64 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.324 -0.86 . . . . 0.0 112.71 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.25 -43.75 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.024 0.93 . . . . 0.0 110.351 172.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -53.33 -39.55 64.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.644 1.178 . . . . 0.0 113.927 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.18 -6.4 34.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -108.97 -40.91 4.87 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.981 1.713 . . . . 0.0 111.159 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 73.07 -150.83 44.69 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.966 1.746 . . . . 0.0 113.539 173.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -154.91 145.26 22.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.017 1.327 . . . . 0.0 110.778 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -69.57 -17.96 63.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.048 0.939 . . . . 0.0 113.515 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.48 -22.57 28.17 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -45.95 75.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.567 1.076 . . . . 0.0 110.986 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -19.87 66.08 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 51.6 ttp85 -85.44 -22.16 28.43 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.615 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 99.8 m -93.1 -49.74 5.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.914 1.685 . . . . 0.0 112.002 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.15 -32.66 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.63 0.65 . . . . 0.0 111.197 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -54.92 -59.99 3.98 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.856 0.862 . . . . 0.0 111.679 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.65 -35.12 79.48 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.974 -1.079 . . . . 0.0 112.937 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.2 67.57 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -85.73 -37.43 19.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.762 0.825 . . . . 0.0 111.522 170.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 22.1 t -65.99 -28.44 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.919 0.888 . . . . 0.0 113.184 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.66 -15.84 63.17 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 171.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 14.0 m -99.2 -9.87 23.17 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.751 1.621 . . . . 0.0 113.322 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.633 1.573 . . . . 0.0 113.507 -176.246 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.19 -21.63 66.64 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 -168.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -53.41 -36.44 38.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -170.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.87 -34.87 13.37 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 123.052 2.501 . . . . 0.0 113.155 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.9 tp -80.42 -38.27 30.48 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 111.629 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -60.83 -39.99 91.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.025 0.93 . . . . 0.0 111.692 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.25 -18.49 63.14 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.91 -52.84 6.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.208 0.913 . . . . 0.0 112.545 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 pt -65.01 -30.99 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 120.221 1.373 . . . . 0.0 112.02 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -24.46 74.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.343 0.973 . . . . 0.0 112.777 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -52.74 51.96 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.831 1.316 . . . . 0.0 109.887 171.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.62 -42.83 75.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.631 1.172 . . . . 0.0 110.851 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.07 -49.56 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 118.73 0.695 . . . . 0.0 111.932 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.73 -32.51 74.34 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.832 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -63.66 -52.02 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.294 1.047 . . . . 0.0 110.267 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.07 -48.68 77.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 111.807 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -26.98 64.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 28.4 ttpt -60.21 -43.01 96.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.105 0.866 . . . . 0.0 111.156 173.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CE2' ' HE2' ' A' ' 18' ' ' LYS . 63.6 m-85 -82.21 -38.4 24.62 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 76.9 p -65.24 -10.78 34.8 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.7 -6.0 89.19 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.885 -0.953 . . . . 0.0 114.762 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -75.0 -44.63 47.0 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.317 1.558 . . . . 0.0 112.691 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -160.47 -12.79 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.14 -143.05 7.76 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 126.181 1.848 . . . . 0.0 113.726 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -150.75 177.64 9.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.009 1.324 . . . . 0.0 111.52 -174.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -49.62 -21.89 1.15 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.958 2.103 . . . . 0.0 116.259 -175.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 17.27 2.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.34 1.456 . . . . 0.0 114.721 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -159.5 143.78 15.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 113.354 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -113.55 153.53 28.63 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.191 1.796 . . . . 0.0 109.35 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -76.57 164.32 26.05 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.185 -0.947 . . . . 0.0 110.504 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.04 -36.0 72.12 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.128 -1.608 . . . . 0.0 113.392 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -75.24 -38.01 60.78 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 112.741 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -67.33 -40.6 85.91 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.31 1.044 . . . . 0.0 111.009 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.77 -47.43 84.74 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.555 1.142 . . . . 0.0 109.003 169.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -52.71 -36.01 56.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.994 0.816 . . . . 0.0 112.901 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.7 -48.53 76.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.427 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.89 -53.54 47.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.663 1.585 . . . . 0.0 111.548 172.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.2 pt -72.19 -26.81 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.28 -31.84 73.2 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.774 1.17 . . . . 0.0 111.905 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -62.53 1.64 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.675 0.79 . . . . 0.0 111.353 170.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -78.25 -33.11 49.91 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 -167.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -118.96 42.3 2.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.55 1.54 . . . . 0.0 109.805 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -53.62 -44.68 69.69 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -168.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.9 mt 72.73 123.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 126.989 2.115 . . . . 0.0 110.342 -171.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.75 24.56 14.5 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.388 1.471 . . . . 0.0 115.52 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -158.95 157.02 30.55 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.453 1.627 . . . . 0.0 113.719 -173.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.252 19.1 ptpt 47.76 -160.15 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.83 2.852 . . . . 0.0 116.42 175.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -77.62 66.99 3.44 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.801 1.64 . . . . 0.0 109.57 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -33.27 66.26 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -169.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.37 -29.98 69.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.302 0.955 . . . . 0.0 113.164 -176.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.1 -27.78 68.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 112.928 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -80.09 -38.77 31.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.975 0.91 . . . . 0.0 110.519 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -61.02 -43.96 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.164 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.7 m -66.06 -26.6 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 119.978 1.263 . . . . 0.0 113.049 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.88 -37.22 35.29 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.397 0.999 . . . . 0.0 112.494 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.06 -41.01 97.71 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.88 1.218 . . . . 0.0 110.845 169.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.49 -45.47 91.58 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.13 1.372 . . . . 0.0 111.085 172.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.06 -44.53 96.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.643 0.777 . . . . 0.0 112.001 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.65 -29.38 69.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.201 0.91 . . . . 0.0 112.759 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.18 -51.95 21.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.13 1.372 . . . . 0.0 112.015 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -72.26 -27.81 62.73 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.223 1.809 . . . . 0.0 113.686 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -10.62 60.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.936 1.088 . . . . 0.0 113.936 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -71.69 -19.81 62.02 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 112.246 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.93 -97.19 0.44 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.798 1.639 . . . . 0.0 111.822 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -163.08 -71.46 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.107 1.363 . . . . 0.0 112.397 -170.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -142.77 20.24 1.99 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.334 1.853 . . . . 0.0 111.793 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -156.88 162.94 39.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.231 1.812 . . . . 0.0 111.175 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.56 112.3 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.178 1.391 . . . . 0.0 109.249 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -79.78 168.62 19.06 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.57 -36.7 84.65 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -173.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -66.9 -46.5 74.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.589 -0.694 . . . . 0.0 110.681 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.51 -36.11 81.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.733 0.813 . . . . 0.0 112.265 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -55.44 -51.8 65.73 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.906 0.882 . . . . 0.0 111.643 170.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.51 -39.53 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.887 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.3 m -60.05 -36.11 76.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.247 1.019 . . . . 0.0 111.596 172.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -72.94 -35.61 67.03 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 112.766 173.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.9 -29.65 70.35 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.425 1.466 . . . . 0.0 111.493 170.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.01 -35.85 92.36 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 123.966 0.793 . . . . 0.0 113.353 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.5 62.0 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.476 1.138 . . . . 0.0 112.089 169.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.41 -45.21 76.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.935 1.294 . . . . 0.0 111.177 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.8 69.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.977 1.311 . . . . 0.0 113.789 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.4 tmm? -77.45 -35.73 53.66 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.16 -35.21 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.613 1.097 . . . . 0.0 110.88 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -72.32 39.4 0.08 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.81 1.644 . . . . 0.0 112.629 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.5 -30.36 0.56 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 129.699 3.199 . . . . 0.0 118.641 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.19 -32.33 66.35 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 121.598 1.999 . . . . 0.0 112.919 173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -18.15 62.39 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.196 1.398 . . . . 0.0 113.959 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.86 17.11 10.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.255 1.822 . . . . 0.0 113.233 175.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -73.95 -28.33 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.261 -1.524 . . . . 0.0 111.719 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 C-N-CA 125.697 1.618 . . . . 0.0 113.766 176.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 119.721 -0.181 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.86 -20.93 26.76 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.031 0.933 . . . . 0.0 112.867 170.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -46.0 -35.91 4.74 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.33 -44.85 21.05 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.564 2.176 . . . . 0.0 113.293 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 26.7 tp -79.51 -36.73 38.1 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.796 0.725 . . . . 0.0 111.536 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.75 -34.36 78.14 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.362 0.665 . . . . 0.0 112.509 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -74.36 -31.8 62.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.736 0.698 . . . . 0.0 111.749 171.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.17 66.19 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.457 1.026 . . . . 0.0 111.962 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -66.85 -31.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.105 -0.997 . . . . 0.0 111.211 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -28.97 72.99 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.727 1.155 . . . . 0.0 113.417 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -49.84 63.27 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.539 1.17 . . . . 0.0 110.654 174.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.99 -41.29 91.74 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.813 0.845 . . . . 0.0 111.282 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.5 mt -65.51 -44.84 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.473 0.579 . . . . 0.0 110.898 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -34.23 81.71 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.644 1.116 . . . . 0.0 113.071 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 23.0 mt -68.66 -53.26 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 117.909 0.854 . . . . 0.0 109.888 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.82 -55.7 29.95 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.52 -22.97 64.49 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -168.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -53.41 -41.81 66.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.123 0.969 . . . . 0.0 112.294 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -80.95 -37.7 28.99 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.2 m -52.16 -24.72 7.51 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.08 -6.29 84.93 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 118.854 -0.97 . . . . 0.0 115.118 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -80.97 -39.27 26.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.24 1.52 . . . . 0.0 113.502 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -142.29 -32.12 0.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.651 1.18 . . . . 0.0 113.279 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -138.11 5.42 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.865 1.698 . . . . 0.0 114.137 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.7 166.45 24.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.216 1.806 . . . . 0.0 110.113 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.86 16.47 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 117.83 2.529 . . . . 0.0 117.83 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -153.01 10.6 0.46 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.722 1.609 . . . . 0.0 114.151 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -150.46 166.18 30.92 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.938 1.295 . . . . 0.0 112.312 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.61 135.83 47.27 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 126.134 1.774 . . . . 0.0 109.306 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 t -78.31 148.45 33.8 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.557 -0.715 . . . . 0.0 109.823 169.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -58.34 -28.09 64.77 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.986 -1.696 . . . . 0.0 115.32 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -79.67 -27.1 40.83 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.35 -38.36 55.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.283 1.833 . . . . 0.0 109.897 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.99 -39.79 91.03 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.95 2.1 . . . . 0.0 110.971 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.98 -34.79 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.065 -1.647 . . . . 0.0 113.372 170.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -66.53 -42.05 87.83 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.627 0.649 . . . . 0.0 110.672 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.79 -54.07 50.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.166 170.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.56 -46.71 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 120.359 1.436 . . . . 0.0 111.885 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.73 -31.76 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.282 0.492 . . . . 0.0 111.973 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -85.32 -35.55 21.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.426 1.09 . . . . 0.0 112.906 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.23 -63.99 0.96 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.468 1.907 . . . . 0.0 110.129 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -85.23 -63.41 1.33 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.737 -0.602 . . . . 0.0 111.082 -173.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m 63.12 52.71 2.45 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.934 1.693 . . . . 0.0 109.615 -174.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.6 mt -54.28 119.63 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.859 1.263 . . . . 0.0 111.125 -169.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.55 43.98 3.29 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.341 1.448 . . . . 0.0 113.278 -175.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -159.17 155.56 27.38 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.297 1.039 . . . . 0.0 112.754 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt 55.88 -141.97 0.8 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.067 1.747 . . . . 0.0 111.664 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.0 mt -85.64 -12.05 52.32 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.577 1.151 . . . . 0.0 113.319 174.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 69.31 -65.76 0.28 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 129.129 2.972 . . . . 0.0 110.738 -173.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.68 -37.65 87.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.214 1.006 . . . . 0.0 112.687 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -24.13 67.53 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.925 0.89 . . . . 0.0 113.042 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 -41.27 24.07 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.321 0.648 . . . . 0.0 110.293 169.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.38 -41.44 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.338 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -68.96 -24.47 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 119.489 1.04 . . . . 0.0 113.074 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.43 -36.84 33.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.065 0.848 . . . . 0.0 111.958 169.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.55 -40.64 84.98 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.54 -0.725 . . . . 0.0 111.691 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -28.83 69.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.642 0.655 . . . . 0.0 111.869 176.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.93 -28.02 64.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.094 1.358 . . . . 0.0 112.47 170.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.6 -26.24 37.96 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -47.77 33.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 111.296 170.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.11 -1.48 26.27 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.28 1.432 . . . . 0.0 113.427 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -57.23 -23.4 47.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.11 1.364 . . . . 0.0 112.478 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -78.62 -8.49 58.69 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.004 1.721 . . . . 0.0 113.691 174.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -148.99 -107.62 0.08 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.096 1.359 . . . . 0.0 112.518 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 166.64 -15.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 129.62 3.168 . . . . 0.0 113.987 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -147.48 -29.23 0.35 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -160.17 153.08 21.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.939 0.895 . . . . 0.0 112.184 -169.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.54 116.74 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.194 1.797 . . . . 0.0 109.212 -172.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -77.59 155.57 31.4 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.209 1.004 . . . . 0.0 111.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.27 -46.66 36.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.367 1.467 . . . . 0.0 114.723 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -69.62 -32.92 71.92 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.049 0.84 . . . . 0.0 111.757 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -70.41 -36.41 74.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.088 0.955 . . . . 0.0 111.677 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.92 -45.51 93.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.929 0.891 . . . . 0.0 111.826 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.0 -35.46 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.27 -0.894 . . . . 0.0 111.774 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 43.4 m -59.09 -45.36 91.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.951 1.301 . . . . 0.0 110.709 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.2 -39.75 95.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.354 0.662 . . . . 0.0 112.456 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.43 -23.83 67.42 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.591 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.57 95.29 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.604 1.093 . . . . 0.0 111.656 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.4 81.97 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.061 0.93 . . . . 0.0 112.414 172.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.55 -39.66 94.15 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.39 0.676 . . . . 0.0 111.398 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.99 95.6 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.99 1.316 . . . . 0.0 112.266 172.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.3 tpt -65.1 -31.37 72.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.76 0.824 . . . . 0.0 112.304 174.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.26 -27.01 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.071 0.948 . . . . 0.0 112.814 172.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -77.5 49.12 0.7 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.387 0.994 . . . . 0.0 111.647 169.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -53.11 -25.3 12.57 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.268 1.827 . . . . 0.0 114.953 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.77 -39.1 73.44 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.38 1.072 . . . . 0.0 112.336 171.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.99 66.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.168 0.987 . . . . 0.0 112.305 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.89 1.11 24.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.403 1.481 . . . . 0.0 112.597 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -76.74 -22.95 53.11 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.85 1.205 . . . . 0.0 113.234 169.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.252 0 C-N-CA 125.473 1.511 . . . . 0.0 113.573 -175.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 36.5 p . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.95 -7.61 58.01 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -170.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -68.1 141.55 37.92 Favored Glycine 0 CA--C 1.533 1.184 0 O-C-N 121.11 -0.994 . . . . 0.0 111.825 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -54.28 -34.85 61.76 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.597 1.159 . . . . 0.0 113.741 -171.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -50.71 -29.37 11.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.937 1.695 . . . . 0.0 113.358 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -65.58 -22.82 66.72 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.697 1.199 . . . . 0.0 113.696 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 78.4 t -98.44 -40.46 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.668 1.587 . . . . 0.0 109.703 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.09 -38.0 89.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.946 1.298 . . . . 0.0 111.244 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.64 -18.0 64.54 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -70.83 -23.6 62.37 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.142 -0.974 . . . . 0.0 112.651 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 95.5 mt -76.57 -32.01 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.095 1.358 . . . . 0.0 111.231 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -53.36 -40.8 65.23 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.314 1.045 . . . . 0.0 112.664 171.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -72.13 -0.41 11.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.732 1.613 . . . . 0.0 113.917 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.87 -27.5 66.72 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.239 1.016 . . . . 0.0 112.175 170.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.25 44.64 27.84 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.304 0.954 . . . . 0.0 114.855 169.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.07 132.65 53.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.053 0.927 . . . . 0.0 113.475 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -82.68 -26.2 32.31 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.36 -23.6 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.017 0.826 . . . . 0.0 112.613 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 13.5 tpt -59.99 -46.03 90.79 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.536 0.607 . . . . 0.0 110.222 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -58.28 -33.77 69.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.293 1.037 . . . . 0.0 112.465 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -74.89 -41.19 60.23 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.708 0.685 . . . . 0.0 111.441 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.0 m -63.24 -43.07 99.07 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.33 1.452 . . . . 0.0 111.924 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.35 -33.41 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.818 0.847 . . . . 0.0 112.411 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.54 -56.03 5.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.492 0.717 . . . . 0.0 112.603 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -72.58 -31.26 65.09 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -172.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.17 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.949 1.3 . . . . 0.0 114.358 -173.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -69.46 -36.91 77.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.514 1.125 . . . . 0.0 112.217 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 89.3 t -88.84 -36.99 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.936 1.695 . . . . 0.0 112.344 -170.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -76.72 -2.66 34.07 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 48.1 t -74.66 53.96 0.59 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 125.408 1.483 . . . . 0.0 110.027 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 128.127 2.571 . . . . 0.0 113.239 -169.907 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 51.2 p . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.474 0.178 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -162.38 166.86 24.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.709 1.604 . . . . 0.0 111.395 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -159.15 142.15 8.11 Favored Glycine 0 N--CA 1.467 0.737 0 C-N-CA 124.793 1.187 . . . . 0.0 112.427 174.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -55.11 -42.29 72.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.744 1.217 . . . . 0.0 113.255 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -55.68 -34.64 65.22 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.571 1.148 . . . . 0.0 112.725 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.01 -22.76 66.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.02 0.928 . . . . 0.0 113.368 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.17 -43.14 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.543 1.537 . . . . 0.0 109.791 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.78 -32.01 72.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.5 1.52 . . . . 0.0 111.994 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.16 -36.2 77.02 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.344 -0.847 . . . . 0.0 112.124 171.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -68.89 -19.29 64.22 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.7 mt -89.89 -42.6 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.184 1.394 . . . . 0.0 110.833 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.85 -44.38 66.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.215 1.006 . . . . 0.0 113.056 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.55 -1.32 20.93 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -75.25 -25.88 58.4 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 137.32 -153.18 21.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.738 1.161 . . . . 0.0 114.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 78.75 143.71 0.08 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 129.534 3.134 . . . . 0.0 112.274 -175.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -144.71 14.42 1.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -169.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -83.65 -20.09 34.22 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.823 -1.173 . . . . 0.0 113.929 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.07 -56.32 23.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.183 0.993 . . . . 0.0 109.833 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -61.18 -28.85 69.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.843 1.257 . . . . 0.0 113.78 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.14 -37.34 72.27 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.531 1.06 . . . . 0.0 111.334 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 29.7 m -73.75 -46.58 44.94 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.194 0.998 . . . . 0.0 111.075 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.02 -40.33 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.598 1.159 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.94 -59.25 5.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.422 0.556 . . . . 0.0 111.859 173.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -62.99 -36.44 83.55 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.749 1.159 . . . . 0.0 113.052 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.61 65.17 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -85.08 -46.15 11.42 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.984 0.513 . . . . 0.0 110.32 169.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 44.6 t -70.78 -20.67 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.123 1.369 . . . . 0.0 113.717 -169.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.69 -22.47 46.29 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 169.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 32.9 m -107.18 -0.78 22.48 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.166 1.386 . . . . 0.0 113.982 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.338 1.455 . . . . 0.0 112.769 -177.723 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.1 mmm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.17 -45.18 0.58 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 128.202 2.601 . . . . 0.0 114.043 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -59.71 -29.42 5.77 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.13 -42.55 17.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.583 2.189 . . . . 0.0 112.395 170.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 tp -74.39 -39.04 62.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.724 0.693 . . . . 0.0 111.714 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.4 -43.41 88.54 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.401 1.081 . . . . 0.0 112.752 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -73.5 -13.81 61.11 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.77 -53.66 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.95 -1.094 . . . . 0.0 111.591 169.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 pt -61.46 -35.62 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.563 1.074 . . . . 0.0 112.063 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.51 67.93 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.894 1.235 . . . . 0.0 113.871 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -57.1 5.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.795 1.238 . . . . 0.0 109.62 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.11 -36.71 68.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.781 1.232 . . . . 0.0 111.805 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -44.5 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 118.757 0.708 . . . . 0.0 111.634 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.27 -34.18 51.88 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.382 -0.677 . . . . 0.0 112.888 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -57.28 -48.55 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.152 0.976 . . . . 0.0 110.643 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -70.3 -53.88 14.96 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.784 0.833 . . . . 0.0 112.093 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.54 -20.38 62.81 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -54.18 -39.09 66.31 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.8 0.84 . . . . 0.0 111.21 169.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -83.0 -30.46 28.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.369 1.468 . . . . 0.0 114.581 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -65.74 -46.44 78.84 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.183 0.901 . . . . 0.0 112.094 169.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.87 -13.83 69.72 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.356 1.455 . . . . 0.0 114.37 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.06 -41.74 98.46 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.32 1.048 . . . . 0.0 111.07 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -94.88 -19.19 20.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.141 1.376 . . . . 0.0 112.458 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.61 17.74 40.77 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.974 1.274 . . . . 0.0 113.556 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -74.92 160.07 31.06 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.184 0.994 . . . . 0.0 112.55 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -83.61 -133.17 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.202 1.001 . . . . 0.0 110.672 175.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -73.78 37.09 0.09 Allowed 'General case' 0 CA--C 1.559 1.302 0 O-C-N 120.025 -1.672 . . . . 0.0 114.856 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.86 158.63 43.85 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.377 2.271 . . . . 0.0 111.172 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 pp -160.36 164.31 32.55 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.722 1.609 . . . . 0.0 111.386 169.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 p -78.61 155.62 29.5 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.198 -1.564 . . . . 0.0 112.359 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -62.1 -24.25 67.01 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.759 -1.213 . . . . 0.0 113.862 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.08 -44.64 65.28 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.96 -1.087 . . . . 0.0 111.724 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.18 -31.33 71.65 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.672 0.789 . . . . 0.0 112.151 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.24 -48.98 79.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.189 1.396 . . . . 0.0 110.213 169.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.27 -32.7 74.39 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.729 -1.232 . . . . 0.0 111.799 175.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.57 -44.41 97.08 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.746 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.46 1.104 . . . . 0.0 110.779 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.83 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 117.868 0.304 . . . . 0.0 111.148 -176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -76.08 -23.54 55.0 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.614 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -87.58 -39.14 15.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 171.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -86.48 -56.53 3.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.111 0.869 . . . . 0.0 110.875 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.72 48.08 1.34 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.5 1.52 . . . . 0.0 110.747 -169.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 p -49.42 99.93 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.573 2.749 . . . . 0.0 114.008 -169.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.7 -11.7 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.71 1.204 . . . . 0.0 113.595 171.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.12 -52.14 3.3 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.948 1.737 . . . . 0.0 114.457 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 t -82.76 117.24 22.52 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.479 1.112 . . . . 0.0 112.165 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -65.88 -17.46 64.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.16 -19.32 64.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.553 1.141 . . . . 0.0 112.538 175.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -74.29 -13.38 60.76 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.654 0.782 . . . . 0.0 112.781 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -54.8 -33.59 61.68 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.148 1.34 . . . . 0.0 113.337 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -28.14 69.58 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.576 1.15 . . . . 0.0 113.479 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -80.85 -42.02 22.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.169 0.988 . . . . 0.0 110.299 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -64.33 -36.7 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.469 -0.769 . . . . 0.0 111.763 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.22 -31.13 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.784 1.174 . . . . 0.0 112.503 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -74.79 -31.39 61.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.226 0.921 . . . . 0.0 112.044 173.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -67.08 -40.33 86.96 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.465 -0.772 . . . . 0.0 110.995 169.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -64.18 -35.04 79.51 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.48 1.112 . . . . 0.0 111.755 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.6 -29.04 69.59 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.887 1.275 . . . . 0.0 113.426 169.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.67 -26.93 37.29 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.94 -1.1 . . . . 0.0 112.804 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.83 -36.09 67.41 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.308 -0.87 . . . . 0.0 110.384 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.16 -28.08 69.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.023 1.329 . . . . 0.0 112.099 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.04 -29.34 70.23 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.529 -0.732 . . . . 0.0 112.152 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -76.16 -35.8 59.03 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.689 0.677 . . . . 0.0 112.479 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -157.67 121.41 4.11 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.55 1.54 . . . . 0.0 110.611 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.27 130.59 46.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.418 1.487 . . . . 0.0 113.503 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 72.3 -43.55 0.57 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.497 2.719 . . . . 0.0 114.186 169.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -124.32 115.56 21.2 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.233 2.213 . . . . 0.0 108.651 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.72 118.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 125.277 1.431 . . . . 0.0 108.189 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -83.67 150.28 25.97 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.267 1.027 . . . . 0.0 110.449 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.61 -42.62 62.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.175 1.39 . . . . 0.0 114.567 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.54 -42.92 95.44 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 111.061 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.47 -27.09 62.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.848 1.259 . . . . 0.0 112.324 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.65 -45.53 78.71 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.461 1.104 . . . . 0.0 111.04 169.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.1 mt -70.17 -32.59 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.209 -0.932 . . . . 0.0 111.362 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.9 m -58.19 -38.53 76.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.387 1.075 . . . . 0.0 111.315 172.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -69.78 -41.6 74.92 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.56 0.744 . . . . 0.0 112.439 172.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.21 -27.8 66.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.351 0.978 . . . . 0.0 111.606 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.67 -27.52 73.28 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.079 1.323 . . . . 0.0 114.147 171.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.24 -44.04 18.35 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.099 1.449 . . . . 0.0 110.788 169.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -53.71 -43.46 69.02 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.072 1.349 . . . . 0.0 111.618 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.95 -27.66 45.3 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.687 1.595 . . . . 0.0 114.019 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -80.27 -31.47 38.36 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.578 1.151 . . . . 0.0 112.648 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.32 -35.83 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.145 0.978 . . . . 0.0 110.163 170.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.81 39.33 0.07 Allowed 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.543 2.337 . . . . 0.0 112.987 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.77 -22.97 10.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 128.589 2.756 . . . . 0.0 118.138 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.23 -19.13 65.82 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 121.368 1.894 . . . . 0.0 112.635 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.6 64.23 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.269 0.94 . . . . 0.0 113.414 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.67 -18.99 26.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.063 1.345 . . . . 0.0 111.536 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -89.53 -44.66 9.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.665 1.586 . . . . 0.0 112.034 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 C-N-CA 126.439 1.971 . . . . 0.0 112.283 -173.182 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.77 -13.89 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.1 p -49.41 -42.4 64.86 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -65.56 -27.56 53.58 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.926 2.417 . . . . 0.0 113.878 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 tp -82.64 -38.77 23.02 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.578 1.081 . . . . 0.0 112.169 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.14 -36.07 76.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.306 1.042 . . . . 0.0 112.492 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -72.17 -19.53 61.74 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 172.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.02 -54.47 5.04 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.553 1.069 . . . . 0.0 112.202 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.44 -35.88 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.42 -0.8 . . . . 0.0 111.145 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.7 -24.16 67.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 121.489 -0.757 . . . . 0.0 113.166 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -52.55 19.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.947 1.374 . . . . 0.0 109.551 176.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.58 -42.49 83.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.842 0.857 . . . . 0.0 111.241 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.27 -43.86 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.545 0.611 . . . . 0.0 111.08 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.75 -31.47 73.17 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.51 1.052 . . . . 0.0 112.897 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mt -69.01 -54.99 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.31 -59.1 5.64 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.793 1.237 . . . . 0.0 113.676 -172.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -69.94 -17.21 63.31 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -169.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.54 -38.35 80.8 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.734 -1.229 . . . . 0.0 112.673 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -79.02 -33.28 45.02 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -74.74 -40.41 61.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.071 0.851 . . . . 0.0 110.777 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.32 -16.06 13.45 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 126.237 1.875 . . . . 0.0 114.398 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.18 -35.79 70.02 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.124 1.369 . . . . 0.0 112.033 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -127.18 -24.54 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.235 1.414 . . . . 0.0 114.323 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.87 165.26 38.76 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-N 119.96 1.255 . . . . 0.0 114.664 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -74.58 -9.14 58.28 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.96 151.16 26.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.197 1.399 . . . . 0.0 113.547 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 33.44 1.82 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.137 1.775 . . . . 0.0 113.418 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -124.73 135.56 53.11 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.167 1.787 . . . . 0.0 110.123 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -108.23 129.75 55.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.538 1.135 . . . . 0.0 111.191 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -79.47 161.34 26.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.696 0.798 . . . . 0.0 112.457 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -48.97 -52.5 24.5 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.487 -1.383 . . . . 0.0 113.358 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -66.72 -31.28 71.84 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.804 1.642 . . . . 0.0 113.135 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.25 -35.68 58.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.441 1.896 . . . . 0.0 110.624 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.42 -42.09 75.48 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.558 1.143 . . . . 0.0 110.074 169.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -60.68 -36.33 78.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.734 -1.229 . . . . 0.0 111.711 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.02 -45.32 89.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.328 1.051 . . . . 0.0 112.141 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.81 -49.05 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.457 1.103 . . . . 0.0 111.927 170.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.92 -54.06 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 118.433 0.56 . . . . 0.0 111.812 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -65.07 -29.35 70.23 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -86.33 -46.6 10.14 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -85.52 -44.62 12.53 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.94 0.791 . . . . 0.0 111.231 -172.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.43 -69.73 0.56 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.305 0.957 . . . . 0.0 108.433 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t 139.95 -163.47 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.334 1 C-N-CA 132.931 4.493 . . . . 0.0 107.895 -176.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -149.01 -38.12 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 169.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.58 -44.43 1.72 Allowed Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.639 1.114 . . . . 0.0 115.205 173.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.7 p -158.1 156.44 30.99 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.821 1.31 . . . . 0.0 114.075 -175.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -66.13 -23.32 66.47 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.439 -0.788 . . . . 0.0 112.295 172.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.52 -34.12 73.81 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.5 1.12 . . . . 0.0 111.465 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -80.71 -31.51 36.1 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.005 0.522 . . . . 0.0 111.753 169.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.03 -32.79 72.4 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.834 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.59 -27.63 68.77 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.704 1.202 . . . . 0.0 113.324 169.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.77 -39.78 26.25 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.607 0.763 . . . . 0.0 110.768 170.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.8 -37.55 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.102 -0.952 . . . . 0.0 112.167 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.78 -30.54 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.416 1.462 . . . . 0.0 112.278 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -73.4 -38.14 65.71 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.479 -0.763 . . . . 0.0 112.094 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.35 -37.08 84.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.326 -0.859 . . . . 0.0 111.803 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -60.33 -39.05 85.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.013 0.925 . . . . 0.0 111.319 170.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.86 -31.61 72.93 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.348 1.059 . . . . 0.0 113.581 170.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.75 -20.28 58.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.321 1.048 . . . . 0.0 113.741 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -81.08 -43.19 19.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.477 1.111 . . . . 0.0 110.359 169.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.64 -18.92 61.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.02 1.728 . . . . 0.0 113.372 171.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -53.84 -33.2 55.53 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.155 1.382 . . . . 0.0 112.327 170.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.51 -42.08 68.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.943 0.897 . . . . 0.0 112.682 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -163.2 133.78 4.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.331 1.852 . . . . 0.0 110.793 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.58 136.17 47.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.884 0.873 . . . . 0.0 113.009 -174.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 76.04 -28.02 0.18 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 129.194 2.998 . . . . 0.0 113.075 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -153.69 140.9 19.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.0 1.72 . . . . 0.0 110.55 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.39 130.44 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.712 2.005 . . . . 0.0 108.802 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.94 159.26 26.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.844 0.83 . . . . 0.0 112.699 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.13 -56.15 1.51 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.862 2.465 . . . . 0.0 114.714 171.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.26 -35.79 82.0 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.485 1.039 . . . . 0.0 111.836 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.82 -32.68 65.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.63 1.172 . . . . 0.0 112.051 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.59 -44.46 90.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.063 0.945 . . . . 0.0 111.358 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 49.6 mm -63.87 -42.07 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 O-C-N 121.617 -0.677 . . . . 0.0 111.012 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.7 m -59.09 -45.1 91.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.236 1.414 . . . . 0.0 111.048 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.44 -41.58 96.48 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.172 0.589 . . . . 0.0 112.27 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.33 -28.78 68.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.291 0.95 . . . . 0.0 112.198 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.7 91.4 Favored Glycine 0 N--CA 1.468 0.812 0 CA-C-N 119.026 0.83 . . . . 0.0 112.589 170.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.54 95.11 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.926 0.863 . . . . 0.0 112.157 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.29 -46.4 88.65 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.683 1.193 . . . . 0.0 110.963 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.4 72.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.28 1.032 . . . . 0.0 112.545 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.6 ttt -69.28 -24.24 63.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.977 0.911 . . . . 0.0 112.78 175.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.25 -25.33 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.046 0.839 . . . . 0.0 111.205 173.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -73.38 44.41 0.15 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.693 1.235 . . . . 0.0 110.876 168.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.04 -14.63 50.45 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.793 2.037 . . . . 0.0 115.132 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -54.99 -34.22 63.21 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.821 1.191 . . . . 0.0 111.693 169.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.98 52.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.537 1.535 . . . . 0.0 114.536 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 70.2 mt -124.75 -19.24 5.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.0 2.12 . . . . 0.0 112.97 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -74.38 -37.0 63.57 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.954 1.701 . . . . 0.0 112.196 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.241 0 CA-C-O 117.65 -1.639 . . . . 0.0 112.828 -169.387 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 118.918 -0.563 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -162.94 166.27 24.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.942 1.697 . . . . 0.0 112.524 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 82.68 -15.67 29.72 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.219 1.39 . . . . 0.0 115.627 170.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.24 -69.2 0.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.054 1.342 . . . . 0.0 110.112 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -57.08 -29.26 63.32 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.336 1.055 . . . . 0.0 112.399 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.87 -23.7 67.45 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 63.2 t -95.95 -34.06 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.399 1.08 . . . . 0.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.57 -29.42 65.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.189 1.396 . . . . 0.0 111.798 173.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -57.38 -30.64 65.06 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.774 1.23 . . . . 0.0 112.582 170.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.48 -20.81 66.42 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.779 0.832 . . . . 0.0 112.732 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 23.9 mt -88.05 -45.59 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.096 1.359 . . . . 0.0 111.142 170.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -54.86 -39.89 69.12 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.92 -9.16 57.26 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -98.92 -46.6 5.57 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.358 1.463 . . . . 0.0 109.82 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 66.91 -153.69 52.76 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.317 1.437 . . . . 0.0 115.3 169.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -159.52 156.87 28.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.166 1.786 . . . . 0.0 110.605 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -95.47 -23.59 17.05 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.609 1.564 . . . . 0.0 112.36 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -76.03 -21.43 56.85 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.452 -0.78 . . . . 0.0 113.028 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 51.7 tpp -54.81 -46.0 74.45 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.331 1.052 . . . . 0.0 110.547 171.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -57.87 -39.73 78.51 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.445 1.098 . . . . 0.0 112.195 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -75.52 -33.77 60.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.099 0.96 . . . . 0.0 112.405 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 44.1 m -72.86 -38.13 67.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.298 1.039 . . . . 0.0 112.077 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.21 -45.76 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.745 0.702 . . . . 0.0 109.716 174.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.45 -48.95 79.68 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.507 -0.746 . . . . 0.0 112.179 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -49.45 -56.27 10.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.94 1.296 . . . . 0.0 111.278 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.72 -21.9 66.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -84.35 -39.63 18.88 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.683 0.674 . . . . 0.0 112.475 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 73.0 t -87.93 -31.81 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -169.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.71 -9.31 58.09 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -173.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 12.4 m -67.82 -16.99 64.36 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.577 1.551 . . . . 0.0 113.623 172.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.18 1.792 . . . . 0.0 113.168 -175.349 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -167.85 155.96 8.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.741 1.617 . . . . 0.0 111.116 -173.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.03 37.89 1.97 Allowed Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.482 1.515 . . . . 0.0 115.272 -170.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.87 -41.61 71.05 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.975 1.31 . . . . 0.0 113.121 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -57.63 -24.95 59.25 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 125.384 1.474 . . . . 0.0 113.719 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.62 -23.12 64.4 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.79 -38.68 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.455 1.102 . . . . 0.0 109.262 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.76 -36.21 82.34 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.749 1.62 . . . . 0.0 111.089 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.7 -36.19 69.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.397 1.079 . . . . 0.0 112.934 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.61 -24.27 66.57 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.129 -0.982 . . . . 0.0 112.677 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 18.6 mm -83.63 -39.43 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.78 1.232 . . . . 0.0 111.595 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -66.8 -39.01 87.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.637 0.732 . . . . 0.0 111.979 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.72 0.36 27.04 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.389 1.076 . . . . 0.0 113.523 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.97 -22.32 64.11 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.781 0.832 . . . . 0.0 112.088 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 94.77 148.49 24.21 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.943 1.735 . . . . 0.0 114.342 171.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -163.55 174.42 11.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.549 1.94 . . . . 0.0 110.527 174.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -133.62 -15.0 2.45 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.321 1.849 . . . . 0.0 113.344 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.48 -35.79 73.47 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.516 1.053 . . . . 0.0 113.591 -172.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 56.3 ttm -46.42 -46.71 18.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.704 1.202 . . . . 0.0 112.173 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.52 -22.41 66.71 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.067 0.947 . . . . 0.0 113.118 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.517 1.127 . . . . 0.0 111.139 171.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 77.2 m -65.23 -43.24 92.05 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.81 1.644 . . . . 0.0 112.726 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 27.6 mm -64.91 -41.07 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.741 0.701 . . . . 0.0 110.87 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.08 -50.14 74.9 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.862 0.465 . . . . 0.0 111.219 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -55.51 -55.75 28.26 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.273 -0.892 . . . . 0.0 112.118 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.22 -28.01 66.27 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.598 1.09 . . . . 0.0 113.719 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -76.33 -39.93 52.73 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.432 -0.792 . . . . 0.0 112.646 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 50.5 t -77.19 -42.4 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 125.367 1.467 . . . . 0.0 114.045 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -67.56 -11.73 58.75 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.204 1.802 . . . . 0.0 115.238 -169.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 6.4 p -148.3 127.78 13.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.06 1.344 . . . . 0.0 109.663 169.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.29 1.436 . . . . 0.0 112.619 -170.621 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 mmt . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.64 0.257 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.1 4.81 13.57 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -38.91 -50.2 4.04 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.548 2.339 . . . . 0.0 117.029 -169.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.66 -33.85 43.47 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 121.911 1.718 . . . . 0.0 113.095 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.73 -37.07 27.87 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.173 0.897 . . . . 0.0 112.687 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -60.73 -34.79 74.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.531 1.932 . . . . 0.0 112.405 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -72.51 -27.33 62.19 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.61 -48.04 13.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.554 1.07 . . . . 0.0 112.349 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -63.95 -34.83 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 121.383 -0.823 . . . . 0.0 110.883 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -24.23 66.93 Favored Glycine 0 C--N 1.345 1.049 0 C-N-CA 124.763 1.173 . . . . 0.0 113.178 171.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -51.65 20.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.989 1.395 . . . . 0.0 110.161 174.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.7 -40.63 79.96 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.13 -51.99 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.526 0.73 . . . . 0.0 110.481 172.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.87 -27.22 73.26 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.329 0.966 . . . . 0.0 114.154 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.9 mt -71.8 -57.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.445 1.098 . . . . 0.0 110.386 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -59.6 -46.01 90.2 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.406 1.003 . . . . 0.0 111.685 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -73.86 -11.68 60.44 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.29 -47.0 71.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 110.643 169.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.96 -36.71 27.67 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.106 1.362 . . . . 0.0 113.879 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -71.02 -22.56 62.13 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.807 -1.183 . . . . 0.0 112.575 174.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.36 76.72 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.255 0.931 . . . . 0.0 113.165 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -77.92 -47.65 18.17 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.586 1.193 . . . . 0.0 111.267 173.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -152.36 148.55 27.62 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.089 1.356 . . . . 0.0 111.888 -172.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.75 -170.99 48.67 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.438 1.494 . . . . 0.0 113.087 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.16 140.71 43.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.228 0.611 . . . . 0.0 109.4 169.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -60.24 -21.59 62.03 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -170.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -90.87 6.39 44.65 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 120.416 -1.427 . . . . 0.0 114.557 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.9 165.34 26.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.483 1.913 . . . . 0.0 112.516 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.8 mt -130.46 138.0 50.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.829 1.651 . . . . 0.0 108.589 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 m -77.61 149.96 34.71 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.956 -1.09 . . . . 0.0 109.041 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -57.88 -37.57 74.2 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.408 -1.432 . . . . 0.0 113.825 -170.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -68.34 -26.82 65.79 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -79.13 -35.27 42.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.36 1.064 . . . . 0.0 111.087 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.1 -44.07 97.91 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.078 0.951 . . . . 0.0 110.011 169.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.48 -41.83 77.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.685 -1.26 . . . . 0.0 111.929 171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -50.23 74.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.636 0.774 . . . . 0.0 111.418 172.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.87 -52.28 50.72 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.263 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.65 -48.65 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.503 1.047 . . . . 0.0 111.911 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.55 -27.16 66.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.863 0.465 . . . . 0.0 112.201 -176.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -52.89 5.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.995 0.816 . . . . 0.0 112.894 174.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.3 -42.34 54.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.508 -169.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -84.16 -76.28 0.31 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.127 -0.939 . . . . 0.0 109.246 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t 153.77 -174.9 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 131.373 3.869 . . . . 0.0 108.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 tp -162.69 147.13 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 127.344 2.258 . . . . 0.0 111.084 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.98 -164.54 21.0 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.786 1.184 . . . . 0.0 113.088 171.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.7 m -77.31 53.35 1.01 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.268 1.427 . . . . 0.0 113.012 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 tptp 71.25 -27.2 0.17 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.923 2.889 . . . . 0.0 114.456 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -59.61 -31.88 69.89 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -75.19 -24.13 57.77 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.052 1.341 . . . . 0.0 112.4 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.47 -16.97 64.51 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 120.799 -1.188 . . . . 0.0 111.973 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 -27.44 68.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.229 1.412 . . . . 0.0 113.028 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.49 -40.54 25.94 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.162 0.585 . . . . 0.0 109.803 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.33 -28.36 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.388 -0.82 . . . . 0.0 112.607 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.16 -36.27 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-N 120.985 1.721 . . . . 0.0 112.209 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.57 -43.94 75.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.915 0.78 . . . . 0.0 111.551 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.07 -40.56 96.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.862 0.865 . . . . 0.0 112.37 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 ttp -58.54 -41.84 86.45 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.031 0.932 . . . . 0.0 111.05 172.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.3 -29.2 63.63 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.486 0.714 . . . . 0.0 112.846 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -73.02 -24.76 60.77 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.98 1.312 . . . . 0.0 112.653 171.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -80.47 -44.6 18.93 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.588 . . . . 0.0 111.418 170.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -61.21 -14.79 28.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.42 1.888 . . . . 0.0 113.772 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -49.63 -21.96 1.18 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.049 2.139 . . . . 0.0 112.745 169.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.85 -43.49 38.8 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.208 1.803 . . . . 0.0 113.91 169.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -156.66 -108.33 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.024 1.33 . . . . 0.0 112.345 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -134.87 -43.06 0.74 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.179 1.354 . . . . 0.0 114.651 -169.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -138.04 0.49 2.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.281 1.832 . . . . 0.0 112.128 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.21 150.8 43.16 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.045 1.738 . . . . 0.0 113.822 -169.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 t -107.51 139.97 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 128.763 2.825 . . . . 0.0 107.552 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -107.88 154.09 22.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.875 0.87 . . . . 0.0 111.519 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.88 -49.17 66.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -63.05 -39.85 95.97 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.896 0.771 . . . . 0.0 111.43 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -74.65 -31.58 61.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.873 1.269 . . . . 0.0 111.29 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.16 -44.97 95.44 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.97 0.908 . . . . 0.0 111.045 169.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.56 -38.11 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.534 -0.729 . . . . 0.0 111.3 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -57.91 -43.93 86.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.147 0.979 . . . . 0.0 110.891 172.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.63 -37.16 85.78 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 174.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.95 -26.73 68.96 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.852 1.205 . . . . 0.0 111.699 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.3 -35.82 77.52 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.036 0.827 . . . . 0.0 112.983 169.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -42.27 78.28 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.419 1.109 . . . . 0.0 111.526 170.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.43 -44.03 96.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 110.494 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -33.16 74.68 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.13 1.372 . . . . 0.0 113.507 172.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -68.84 -38.92 80.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.961 0.904 . . . . 0.0 111.625 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.94 -35.22 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.095 0.958 . . . . 0.0 112.059 170.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.93 42.42 0.07 Allowed 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 125.566 1.546 . . . . 0.0 112.382 169.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -52.18 -26.29 11.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.192 2.997 . . . . 0.0 116.649 -169.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.861 1.209 . . . . 0.0 111.776 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.28 -14.91 62.37 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.1 mt -102.8 6.05 39.07 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.824 2.05 . . . . 0.0 112.505 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.42 -38.74 5.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.448 1.499 . . . . 0.0 111.778 171.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 C-N-CA 125.701 1.619 . . . . 0.0 114.041 175.612 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 75.78 -51.37 0.63 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 129.612 3.165 . . . . 0.0 112.644 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -47.09 -45.81 53.5 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.563 1.545 . . . . 0.0 114.875 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.28 -43.92 21.24 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.956 2.437 . . . . 0.0 113.553 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 tp -78.3 -39.51 39.57 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.021 0.828 . . . . 0.0 111.277 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.44 -37.43 85.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.863 1.265 . . . . 0.0 112.535 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -74.06 -29.52 61.94 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.446 0.566 . . . . 0.0 112.339 172.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.81 41.45 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.566 1.075 . . . . 0.0 112.107 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -64.34 -34.27 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.143 -0.973 . . . . 0.0 110.514 172.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.84 -28.44 72.67 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.78 1.181 . . . . 0.0 113.801 171.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -51.87 53.99 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.177 1.489 . . . . 0.0 110.13 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.23 -41.26 83.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.148 0.979 . . . . 0.0 111.509 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.42 -42.66 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 118.534 0.606 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.16 -36.09 64.02 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.186 0.898 . . . . 0.0 113.293 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.88 -42.4 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.358 1.063 . . . . 0.0 110.906 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -76.4 -51.64 11.45 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -175.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -70.01 -25.07 63.42 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -169.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -54.15 -44.32 71.34 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.2 1.0 . . . . 0.0 112.681 171.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -81.5 -27.2 34.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.692 1.197 . . . . 0.0 113.667 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -64.64 -50.24 67.89 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.288 -0.882 . . . . 0.0 112.009 171.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.27 -9.36 87.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.684 1.135 . . . . 0.0 114.005 -175.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -57.94 -38.75 76.52 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.817 1.309 . . . . 0.0 113.048 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -108.64 3.84 23.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.082 1.353 . . . . 0.0 113.09 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.51 11.62 79.75 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.59 1.091 . . . . 0.0 115.135 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.22 172.25 13.85 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.073 1.349 . . . . 0.0 112.347 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 176.91 0.87 Allowed 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.998 -1.064 . . . . 0.0 112.377 170.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -67.82 73.06 0.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.638 1.975 . . . . 0.0 112.813 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -161.05 148.12 15.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.534 2.734 . . . . 0.0 108.671 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -121.43 133.05 55.06 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.581 1.153 . . . . 0.0 111.384 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.5 p -80.89 166.22 21.09 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.13 -0.981 . . . . 0.0 110.164 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -56.07 -42.87 77.36 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.323 -1.486 . . . . 0.0 113.009 -171.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -35.57 79.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.194 0.998 . . . . 0.0 113.441 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -75.18 -36.44 61.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.461 0.705 . . . . 0.0 110.874 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.11 -47.79 84.63 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.627 1.171 . . . . 0.0 109.949 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -56.6 -40.04 74.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.592 1.087 . . . . 0.0 112.048 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.49 -42.44 98.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.04 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.11 -59.28 5.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.921 0.782 . . . . 0.0 110.868 169.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.9 pt -68.65 -27.85 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -171.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -79.4 -39.36 32.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.632 1.105 . . . . 0.0 112.355 172.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -31.15 21.2 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.759 1.618 . . . . 0.0 112.874 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -85.7 -44.34 12.64 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.7 -1.25 . . . . 0.0 112.848 177.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.51 -6.85 24.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -173.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p 39.76 82.56 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 128.443 2.697 . . . . 0.0 114.744 169.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.29 -35.53 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.927 0.891 . . . . 0.0 110.14 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.53 -58.4 2.48 Favored Glycine 0 N--CA 1.477 1.396 0 C-N-CA 126.237 1.875 . . . . 0.0 115.166 169.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -73.54 -38.76 65.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.591 1.156 . . . . 0.0 112.377 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 64.07 7.82 3.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.753 2.021 . . . . 0.0 115.094 171.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.44 -27.63 69.12 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.012 -1.055 . . . . 0.0 112.266 170.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -90.8 11.54 22.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.71 1.204 . . . . 0.0 113.052 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.96 -23.03 67.21 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.062 -1.649 . . . . 0.0 112.604 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.13 72.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.68 1.192 . . . . 0.0 112.707 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -81.56 -31.84 32.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.756 0.822 . . . . 0.0 110.689 169.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.2 mm -61.34 -45.32 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.558 1.072 . . . . 0.0 111.82 172.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.98 -26.88 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.535 1.061 . . . . 0.0 112.973 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.07 -30.91 44.24 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.0 0.818 . . . . 0.0 112.703 169.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -41.67 96.07 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.947 1.248 . . . . 0.0 110.451 169.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.8 mtp -59.86 -39.42 85.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.933 0.893 . . . . 0.0 111.403 174.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.58 -29.33 62.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.021 1.328 . . . . 0.0 112.572 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.77 -25.4 49.07 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.333 1.053 . . . . 0.0 112.841 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.46 -51.18 25.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.25 1.42 . . . . 0.0 109.304 169.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.98 -18.52 60.7 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.833 1.653 . . . . 0.0 114.337 176.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -52.68 -23.18 6.15 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.337 1.455 . . . . 0.0 112.894 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -59.4 -24.47 63.48 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -152.08 -101.53 0.05 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.423 1.489 . . . . 0.0 111.794 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.79 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -136.54 -5.4 2.01 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.182 0.993 . . . . 0.0 113.622 -176.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -161.41 162.32 30.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.185 1.394 . . . . 0.0 112.395 -169.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.1 t -117.75 112.09 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 126.612 1.965 . . . . 0.0 107.816 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -81.13 155.62 26.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 122.521 0.328 . . . . 0.0 110.415 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -50.56 -47.15 57.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -57.2 -43.09 82.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.968 0.804 . . . . 0.0 111.758 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -74.26 -29.72 61.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.755 0.822 . . . . 0.0 112.037 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.26 -42.17 96.59 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.635 -0.666 . . . . 0.0 111.905 170.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.82 -43.58 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.286 -0.884 . . . . 0.0 111.083 174.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.6 m -60.47 -38.53 84.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.972 0.909 . . . . 0.0 111.915 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.24 -39.34 92.57 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.791 . . . . 0.0 112.488 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.63 1.105 . . . . 0.0 111.891 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.74 94.2 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.92 0.771 . . . . 0.0 111.958 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.38 86.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.386 1.093 . . . . 0.0 112.04 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 20.3 tp -56.78 -42.75 79.98 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.418 1.487 . . . . 0.0 111.578 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.24 -36.53 75.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.57 0.748 . . . . 0.0 112.679 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.5 mtm -71.14 -27.42 63.55 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.458 1.026 . . . . 0.0 113.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.24 -43.17 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.364 0.984 . . . . 0.0 109.267 169.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -74.09 39.97 0.12 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.288 2.235 . . . . 0.0 113.29 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -52.84 -23.99 8.11 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.866 2.466 . . . . 0.0 116.194 -169.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.52 -31.14 72.05 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.169 1.349 . . . . 0.0 112.253 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.68 68.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.525 0.73 . . . . 0.0 112.754 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.93 -43.26 25.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.239 1.416 . . . . 0.0 110.097 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -61.07 -49.33 77.79 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.369 1.068 . . . . 0.0 112.366 175.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.351 0 C-N-CA 125.144 1.354 . . . . 0.0 113.275 -170.228 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -75.85 149.4 37.85 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.808 0.843 . . . . 0.0 112.399 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -87.31 149.72 22.18 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.794 1.188 . . . . 0.0 112.163 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.9 -33.82 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.813 1.245 . . . . 0.0 113.015 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -58.84 -30.67 67.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.979 1.312 . . . . 0.0 113.0 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -72.33 -13.17 61.42 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.694 1.134 . . . . 0.0 113.075 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 -47.36 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.747 1.219 . . . . 0.0 109.358 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.5 mt -68.22 -28.56 67.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.261 1.424 . . . . 0.0 113.978 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.0 -29.98 70.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.549 1.068 . . . . 0.0 111.911 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.31 -31.45 69.94 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.144 -0.973 . . . . 0.0 111.75 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.2 mp -77.2 -39.28 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.28 1.432 . . . . 0.0 111.145 172.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -54.84 -43.82 73.38 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.306 -0.871 . . . . 0.0 111.992 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.5 -0.35 37.07 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.11 -33.35 59.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.124 0.97 . . . . 0.0 112.533 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 166.5 155.35 8.85 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.819 1.2 . . . . 0.0 115.124 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -172.5 157.91 4.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.909 2.484 . . . . 0.0 110.757 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -159.45 -61.45 0.07 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.546 0.738 . . . . 0.0 112.36 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.95 -23.23 65.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.638 0.775 . . . . 0.0 112.831 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 55.1 ttm -41.16 -46.01 2.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.534 1.934 . . . . 0.0 113.611 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.2 -30.77 25.5 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.222 1.009 . . . . 0.0 112.933 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -83.4 -49.44 9.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 -173.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 99.1 m -61.03 -45.28 95.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.857 1.263 . . . . 0.0 112.831 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 39.1 pt -59.52 -30.59 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.156 0.983 . . . . 0.0 113.493 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -77.58 -45.64 24.62 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.634 0.774 . . . . 0.0 110.751 173.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -58.37 -48.06 81.82 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.169 -0.957 . . . . 0.0 112.12 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.59 70.99 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.811 0.845 . . . . 0.0 113.217 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -73.57 -46.38 47.7 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.408 0.683 . . . . 0.0 111.838 170.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -31.33 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 -170.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.42 -15.7 39.58 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.005 1.722 . . . . 0.0 113.705 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 67.9 m -91.78 -2.96 56.7 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.14 1.376 . . . . 0.0 112.861 179.148 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.877 0.37 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -155.72 126.61 6.97 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.077 1.351 . . . . 0.0 109.438 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -105.51 -0.5 40.26 Favored Glycine 0 N--CA 1.475 1.263 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 -169.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -55.82 -33.96 64.92 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.475 1.637 . . . . 0.0 113.746 -171.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.3 ptp -50.22 -30.97 12.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.008 1.323 . . . . 0.0 114.432 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -72.07 -20.91 61.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.06 -39.61 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.254 1.422 . . . . 0.0 108.844 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.93 -38.99 83.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.109 1.364 . . . . 0.0 110.703 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -58.26 -29.88 66.14 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.209 -0.932 . . . . 0.0 112.709 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -63.82 -18.57 64.25 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.993 -1.692 . . . . 0.0 113.404 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 16.8 mt -81.83 -34.35 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.701 1.2 . . . . 0.0 111.75 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -38.12 84.93 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.816 -1.178 . . . . 0.0 110.274 172.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.72 -0.5 15.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.915 1.686 . . . . 0.0 113.576 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -109.08 -43.41 4.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.552 1.541 . . . . 0.0 112.925 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -147.22 137.7 6.8 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.35 0.976 . . . . 0.0 114.341 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -173.9 120.2 0.29 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.526 2.33 . . . . 0.0 110.021 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -167.9 -58.58 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.646 1.178 . . . . 0.0 111.628 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -72.18 -26.9 62.25 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.9 ttm -53.26 -54.2 39.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.414 0.552 . . . . 0.0 109.663 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -64.49 -29.54 70.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.204 1.001 . . . . 0.0 112.458 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.969 0.908 . . . . 0.0 112.102 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 37.7 m -78.19 -42.35 31.76 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.612 1.565 . . . . 0.0 111.943 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.29 -46.93 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 118.969 0.804 . . . . 0.0 110.513 172.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -54.71 -59.51 4.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 111.755 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.2 -37.74 86.47 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.882 -1.136 . . . . 0.0 113.278 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.73 78.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -78.79 -37.3 41.2 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.559 0.743 . . . . 0.0 112.523 172.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.15 -35.64 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.498 1.119 . . . . 0.0 113.311 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -63.74 -59.28 4.77 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -169.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 31.9 p -169.98 150.14 3.77 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.472 1.109 . . . . 0.0 111.917 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.948 0 C-N-CA 126.388 1.875 . . . . 0.0 110.204 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 116.25 1.945 . . . . 0.0 116.25 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -41.99 -48.45 11.01 Favored Pre-proline 0 N--CA 1.471 0.609 0 N-CA-C 116.725 2.12 . . . . 0.0 116.725 -170.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -63.58 -44.47 13.98 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.203 1.935 . . . . 0.0 112.547 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.6 tp -78.95 -39.24 34.99 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.187 0.449 . . . . 0.0 111.436 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -62.0 -37.78 86.14 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.924 0.49 . . . . 0.0 110.851 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -74.79 -27.82 60.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.33 -45.53 62.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.551 1.069 . . . . 0.0 112.132 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.0 pt -66.13 -28.25 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 CA-C-N 119.331 0.969 . . . . 0.0 111.3 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.21 -30.2 76.34 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.168 1.366 . . . . 0.0 113.359 170.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -50.51 69.63 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.01 1.405 . . . . 0.0 110.03 172.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.02 -39.88 83.29 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.994 0.917 . . . . 0.0 111.74 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.09 -49.27 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 119.693 1.133 . . . . 0.0 111.317 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -26.83 73.65 Favored Glycine 0 C--N 1.341 0.82 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.86 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.69 -57.21 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.343 1.071 . . . . 0.0 109.587 168.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.55 -48.23 82.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.341 1.056 . . . . 0.0 113.158 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -72.76 -14.34 61.52 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -169.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -57.15 -43.92 82.93 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 121.066 -1.021 . . . . 0.0 111.475 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 93.5 m-85 -80.65 -34.15 35.1 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.703 1.201 . . . . 0.0 112.937 -170.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 p -72.08 -38.85 69.31 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.963 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.82 -12.29 20.57 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 126.317 1.913 . . . . 0.0 114.665 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt . . . . . 0 CA--C 1.547 0.838 0 C-N-CA 124.432 1.093 . . . . 0.0 112.962 169.934 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 pttt . . . . . 0 CA--C 1.544 0.718 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.465 ' CD2' HD21 ' A' ' 69' ' ' ASN . 0.4 OUTLIER -96.27 22.16 8.09 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.036 2.135 . . . . 0.0 113.671 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -127.61 158.16 38.26 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.083 2.153 . . . . 0.0 111.046 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.31 130.17 51.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.722 1.209 . . . . 0.0 110.204 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -76.53 155.23 33.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.245 0.618 . . . . 0.0 109.756 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -52.78 -37.9 60.31 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -169.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -77.98 -28.09 49.28 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.37 -34.93 61.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.674 1.189 . . . . 0.0 111.247 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.406 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.4 tm? -61.3 -46.46 90.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.705 1.602 . . . . 0.0 109.243 169.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.56 -37.03 84.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.032 -1.043 . . . . 0.0 112.609 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -49.51 76.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.488 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 8.6 tt -51.84 -51.04 59.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.916 1.234 . . . . 0.0 110.77 171.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.03 -50.24 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.297 0.953 . . . . 0.0 111.962 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -67.85 -33.11 74.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.485 1.039 . . . . 0.0 113.314 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -84.99 -27.23 26.59 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -83.9 -51.99 6.72 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.049 0.84 . . . . 0.0 111.524 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -101.26 79.83 2.03 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.243 1.817 . . . . 0.0 108.161 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 126.668 1.987 . . . . 0.0 113.882 -170.17 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.22 -28.89 68.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 121.45 1.932 . . . . 0.0 112.845 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.89 -27.19 68.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.464 1.106 . . . . 0.0 112.937 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.02 -34.76 32.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.622 0.769 . . . . 0.0 109.961 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.3 mm -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.215 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.12 -26.82 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 120.598 1.545 . . . . 0.0 112.657 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -77.92 -38.15 46.22 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.79 0.723 . . . . 0.0 112.402 169.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.6 -40.0 90.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.251 1.02 . . . . 0.0 110.903 173.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.5 ttp -59.76 -43.55 94.25 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.116 1.766 . . . . 0.0 111.339 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.68 -33.17 75.32 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.77 1.168 . . . . 0.0 113.184 172.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -68.72 -36.64 78.68 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.16 0.891 . . . . 0.0 112.458 172.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.98 -46.29 57.83 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.266 1.426 . . . . 0.0 111.743 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.64 -16.83 63.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.318 1.847 . . . . 0.0 113.251 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -62.61 -20.46 64.78 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.404 -0.81 . . . . 0.0 112.642 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -71.54 -42.91 67.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.113 0.965 . . . . 0.0 112.234 170.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -170.82 126.49 0.72 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 128.083 2.553 . . . . 0.0 110.703 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.84 -34.17 62.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -69.77 -51.0 37.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.108 0.963 . . . . 0.0 111.021 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -160.75 134.67 6.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.304 1.442 . . . . 0.0 110.91 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.4 t -90.46 124.2 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.803 1.641 . . . . 0.0 108.684 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.465 HD21 ' CD2' ' A' ' 27' ' ' HIS . 26.0 t-20 -79.03 151.18 31.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.22 0.608 . . . . 0.0 112.469 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -47.02 -43.46 19.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.894 1.678 . . . . 0.0 115.059 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -66.61 -40.36 88.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.912 0.778 . . . . 0.0 111.271 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -73.12 -32.33 64.86 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.295 1.038 . . . . 0.0 111.882 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.97 -39.1 88.3 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.27 -0.894 . . . . 0.0 110.661 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.71 -38.95 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.169 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -55.2 -40.01 70.28 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.371 1.441 . . . . 0.0 111.605 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -69.35 -42.04 75.81 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.356 0.663 . . . . 0.0 112.512 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.91 -28.15 69.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.05 0.841 . . . . 0.0 112.177 171.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.3 -41.33 96.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.104 0.859 . . . . 0.0 112.483 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.94 88.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.632 1.216 . . . . 0.0 111.615 170.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.56 -41.26 80.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.602 1.161 . . . . 0.0 112.127 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.76 -32.34 69.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.848 1.259 . . . . 0.0 112.678 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 ttt -74.31 -38.88 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.027 0.931 . . . . 0.0 112.269 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 52.5 mt -75.6 -12.86 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.296 1.839 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.56 -16.66 10.71 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.5 1.52 . . . . 0.0 114.3 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 72.03 -60.01 0.54 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 128.392 2.677 . . . . 0.0 114.088 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.32 -29.91 57.49 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.104 1.362 . . . . 0.0 112.189 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.22 90.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.043 0.937 . . . . 0.0 112.583 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.98 15.53 4.91 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.4 1.48 . . . . 0.0 113.157 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -121.41 -36.58 3.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.425 1.49 . . . . 0.0 113.13 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 C-N-CA 126.003 1.763 . . . . 0.0 113.938 173.793 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.35 -62.41 1.44 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.876 1.67 . . . . 0.0 114.552 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -43.12 90.98 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.85 -39.74 89.33 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.409 2.739 . . . . 0.0 114.387 169.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -74.32 -43.85 55.01 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.695 1.134 . . . . 0.0 111.651 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.53 -36.34 78.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.847 1.659 . . . . 0.0 112.311 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -74.65 -32.34 62.23 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 171.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -42.9 71.17 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.492 1.042 . . . . 0.0 112.063 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -66.03 -25.75 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 118.963 0.801 . . . . 0.0 111.371 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.91 -25.54 74.6 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.312 1.434 . . . . 0.0 113.888 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -47.52 73.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.256 1.528 . . . . 0.0 110.273 172.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.51 0.724 . . . . 0.0 111.569 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -74.18 -36.04 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.098 0.863 . . . . 0.0 112.07 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.08 -28.51 72.95 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.543 1.068 . . . . 0.0 112.715 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 mt -80.21 -56.58 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 110.638 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -62.72 -50.27 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -70.25 -19.99 63.1 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -168.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -63.67 -35.09 79.41 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.134 -0.978 . . . . 0.0 112.314 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -84.45 -47.02 11.07 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.729 1.212 . . . . 0.0 113.096 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -63.47 -41.56 98.59 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.392 0.996 . . . . 0.0 111.855 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.34 15.03 52.48 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.63 1.586 . . . . 0.0 114.832 178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.15 -28.07 66.98 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.385 1.592 . . . . 0.0 113.593 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -132.07 21.93 4.5 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.734 1.213 . . . . 0.0 113.495 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.17 -163.08 34.57 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.743 1.163 . . . . 0.0 113.872 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.59 3.46 44.29 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.658 1.583 . . . . 0.0 113.227 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -58.46 147.3 32.17 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.919 2.488 . . . . 0.0 114.818 -169.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -118.17 19.45 13.53 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.61 1.964 . . . . 0.0 114.12 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -124.3 156.35 37.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.378 2.271 . . . . 0.0 110.418 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.52 120.81 43.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.958 1.303 . . . . 0.0 110.752 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.8 t -78.62 173.17 12.7 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.148 0.975 . . . . 0.0 109.994 168.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.13 -38.66 71.11 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.687 -1.258 . . . . 0.0 113.453 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -70.67 -39.52 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -51.38 70.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.619 0.768 . . . . 0.0 110.807 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.14 -41.65 90.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 117.988 0.358 . . . . 0.0 110.557 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.36 -43.55 97.34 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.356 -0.84 . . . . 0.0 112.451 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -65.14 -38.22 89.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.431 0.692 . . . . 0.0 111.582 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.12 -52.68 64.54 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.598 1.159 . . . . 0.0 110.461 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.31 -52.36 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.697 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -64.26 -27.32 68.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.989 0.813 . . . . 0.0 113.129 -176.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -86.85 -50.4 6.74 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.915 1.234 . . . . 0.0 113.836 174.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -85.56 -35.52 21.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -169.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mp -108.21 -17.61 13.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.757 1.223 . . . . 0.0 113.104 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.312 26.4 p . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 127.386 2.274 . . . . 0.0 109.115 -169.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.15 -28.39 67.87 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.262 -1.524 . . . . 0.0 113.63 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.68 73.0 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.454 1.102 . . . . 0.0 112.787 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -80.69 -28.59 36.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.976 0.91 . . . . 0.0 111.232 170.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -64.28 -43.11 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 120.023 1.283 . . . . 0.0 111.56 171.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.81 -24.05 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.883 1.219 . . . . 0.0 113.259 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.43 -38.7 59.62 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.996 -1.065 . . . . 0.0 111.849 169.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -39.27 88.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.392 1.077 . . . . 0.0 111.36 169.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -62.54 -43.19 99.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.941 1.296 . . . . 0.0 111.864 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.33 -35.4 80.28 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.101 1.361 . . . . 0.0 112.309 174.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -72.91 -24.9 60.89 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.828 1.251 . . . . 0.0 113.394 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.35 -48.15 36.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.036 1.334 . . . . 0.0 110.651 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.35 -13.85 62.39 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -49.93 -28.92 7.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 113.057 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -67.87 -29.46 68.59 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -140.2 -19.02 0.89 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -169.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.26 35.26 6.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.825 2.05 . . . . 0.0 113.654 170.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -166.02 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.576 1.55 . . . . 0.0 110.131 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -156.99 142.9 17.81 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.83 1.652 . . . . 0.0 110.531 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 p -92.69 135.0 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.549 1.14 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -91.33 160.86 15.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.28 1.032 . . . . 0.0 112.635 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.84 -48.57 69.83 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -169.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -67.28 -35.8 80.24 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.225 0.92 . . . . 0.0 111.537 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -70.14 -38.25 75.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.251 1.42 . . . . 0.0 111.04 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.62 -43.65 93.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.003 0.921 . . . . 0.0 111.467 169.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.9 mt -69.64 -37.56 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.387 -0.82 . . . . 0.0 112.061 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -59.89 -42.13 93.1 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.18 0.992 . . . . 0.0 111.177 173.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.45 -38.53 87.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.543 0.737 . . . . 0.0 112.301 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.02 -26.31 68.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.527 1.058 . . . . 0.0 111.943 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -36.82 87.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.336 0.97 . . . . 0.0 112.973 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.26 73.59 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.341 1.071 . . . . 0.0 112.155 170.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.11 -41.43 99.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.896 0.878 . . . . 0.0 111.398 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.808 1.243 . . . . 0.0 112.571 171.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.46 -28.49 68.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.18 0.992 . . . . 0.0 113.195 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.0 -31.89 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.894 -1.129 . . . . 0.0 112.233 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -78.23 50.22 0.89 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.49 1.116 . . . . 0.0 111.271 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.58 -28.67 56.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.158 1.783 . . . . 0.0 115.805 -169.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.99 -40.16 92.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.2 0.909 . . . . 0.0 112.219 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.66 65.78 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.15 0.98 . . . . 0.0 113.15 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.1 mt -103.29 18.12 22.5 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.233 2.213 . . . . 0.0 112.326 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.573 1.549 . . . . 0.0 111.952 173.559 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 CA-C-O 119.635 -0.536 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.95 -65.39 0.57 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.535 1.934 . . . . 0.0 111.092 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -56.13 -29.41 60.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.118 0.967 . . . . 0.0 112.873 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.72 -16.15 63.28 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.77 -40.95 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 120.048 1.295 . . . . 0.0 108.78 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.6 -35.44 80.99 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.242 1.817 . . . . 0.0 111.69 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.66 -22.95 58.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.625 1.17 . . . . 0.0 113.31 174.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -69.83 -24.09 63.4 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.577 -1.327 . . . . 0.0 113.066 174.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.3 mp -80.08 -27.56 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.988 1.315 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -54.12 -37.82 64.75 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.906 -1.121 . . . . 0.0 112.562 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.49 0.56 10.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.58 1.952 . . . . 0.0 114.312 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.86 -30.55 67.81 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.092 1.357 . . . . 0.0 113.253 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 89.28 26.5 25.61 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 115.789 1.075 . . . . 0.0 115.789 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -62.91 154.86 28.91 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 118.819 1.309 . . . . 0.0 113.989 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.88 -16.54 7.58 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 128.056 2.543 . . . . 0.0 113.426 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -87.99 -32.98 18.56 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.158 1.345 . . . . 0.0 114.586 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -59.24 -46.76 87.63 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.198 0.999 . . . . 0.0 111.682 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -18.58 65.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 174.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -82.59 -39.15 22.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.566 1.076 . . . . 0.0 111.525 169.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 67.9 m -72.84 -36.56 67.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.847 1.259 . . . . 0.0 111.969 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.2 -47.4 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 118.378 0.535 . . . . 0.0 110.169 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -59.36 -45.72 90.62 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.848 0.459 . . . . 0.0 111.53 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.68 -46.94 80.86 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.046 -1.034 . . . . 0.0 112.23 173.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.79 66.4 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.7 m95 . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 123.479 0.711 . . . . 0.0 111.338 168.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.033 0 CA-C-O 119.7 -0.5 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 27.1 tp -48.82 -67.48 0.26 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -26.31 32.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.686 1.194 . . . . 0.0 114.193 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -76.3 -19.02 58.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.156 0.889 . . . . 0.0 113.166 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.96 -36.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.666 1.187 . . . . 0.0 109.026 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.77 -30.06 68.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.229 1.412 . . . . 0.0 111.937 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.71 -35.63 66.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.38 1.072 . . . . 0.0 112.049 169.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -65.26 -17.19 64.3 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.711 -1.243 . . . . 0.0 112.821 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.17 -39.76 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.36 1.464 . . . . 0.0 111.796 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -51.63 -47.54 63.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 0.0 110.83 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.69 -0.13 32.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -107.52 -22.9 12.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.36 1.464 . . . . 0.0 113.552 171.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -61.9 153.4 41.49 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.846 1.212 . . . . 0.0 113.582 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -80.89 0.08 36.81 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 78.41 7.5 2.36 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.683 2.793 . . . . 0.0 114.071 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.03 -22.28 66.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.732 -1.23 . . . . 0.0 113.026 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 9.4 tpp -44.91 -64.96 0.59 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.176 1.79 . . . . 0.0 109.512 169.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -66.48 -27.25 67.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -68.59 -48.27 64.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.068 0.849 . . . . 0.0 110.574 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.8 m -66.28 -39.23 89.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.283 1.433 . . . . 0.0 111.514 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.03 -53.13 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.395 0.678 . . . . 0.0 110.612 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -64.56 -33.79 76.73 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.97 -55.49 32.31 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.766 1.166 . . . . 0.0 111.357 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.5 -29.32 64.21 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.842 1.257 . . . . 0.0 113.632 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 31.1 m0 . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 125.724 1.61 . . . . 0.0 113.56 175.864 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -39.45 -48.38 4.8 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.96 -33.74 25.28 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.822 1.682 . . . . 0.0 112.838 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.8 tp -80.63 -39.85 26.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.236 0.926 . . . . 0.0 111.742 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.51 -35.97 79.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.387 1.475 . . . . 0.0 112.475 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -73.02 -25.43 60.96 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 171.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.17 -45.47 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.944 1.247 . . . . 0.0 112.388 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.1 pt -64.64 -32.9 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.396 0.998 . . . . 0.0 111.204 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.4 71.53 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.476 1.036 . . . . 0.0 113.91 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -50.89 44.85 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.907 1.353 . . . . 0.0 110.203 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.13 -40.17 88.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.117 0.967 . . . . 0.0 111.731 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -69.13 -42.65 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.84 0.745 . . . . 0.0 110.7 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.64 89.92 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.294 0.949 . . . . 0.0 112.425 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mt -67.82 -54.02 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.286 1.035 . . . . 0.0 110.736 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.86 -50.68 61.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.607 1.094 . . . . 0.0 113.268 -173.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -70.47 -21.17 62.81 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.18 -42.8 91.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.943 -1.098 . . . . 0.0 112.369 169.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.51 -30.43 29.83 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.1 p -75.5 -42.76 52.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.956 1.253 . . . . 0.0 112.015 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.43 58.02 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.518 1.532 . . . . 0.0 113.993 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.123 1.369 . . . . 0.0 112.124 169.728 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.79 0.805 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -80.25 48.51 1.02 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.558 1.543 . . . . 0.0 112.757 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 p -139.19 150.34 45.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.083 2.153 . . . . 0.0 109.665 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.22 143.71 42.84 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.943 1.297 . . . . 0.0 110.152 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -80.41 146.68 31.34 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 167.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -62.19 -22.86 66.25 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -75.54 -29.41 59.41 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -78.39 -30.51 47.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.582 1.153 . . . . 0.0 111.204 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.5 tm? -58.97 -47.22 85.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.807 0.843 . . . . 0.0 110.258 169.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 35' ' ' LYS . 47.2 mtpt -57.34 -39.15 75.33 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.435 -0.791 . . . . 0.0 111.746 173.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.65 -46.94 88.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.566 0.746 . . . . 0.0 111.287 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -54.84 -52.31 63.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.326 1.051 . . . . 0.0 111.083 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.78 -40.03 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.951 -0.468 . . . . 0.0 112.21 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -74.7 -27.57 60.45 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.264 -0.897 . . . . 0.0 112.352 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -85.52 -44.69 12.47 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.02 -53.82 4.85 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.095 0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.4 52.44 1.02 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.004 1.322 . . . . 0.0 111.763 -169.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.47 0.547 0 C-N-CA 124.749 1.22 . . . . 0.0 110.89 178.638 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.75 -38.79 61.48 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -168.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.4 68.27 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.48 -39.92 27.12 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.367 0.531 . . . . 0.0 110.791 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.21 -31.97 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.062 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.38 -36.25 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.248 1.385 . . . . 0.0 111.931 173.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -75.26 -39.24 60.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.568 0.622 . . . . 0.0 112.619 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.12 -36.35 82.91 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.152 0.887 . . . . 0.0 111.812 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -58.98 -39.58 82.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.66 1.184 . . . . 0.0 111.184 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.46 -36.75 85.18 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.252 0.933 . . . . 0.0 113.409 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -70.02 -24.58 63.31 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.318 1.417 . . . . 0.0 113.767 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.95 -44.84 17.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.634 1.574 . . . . 0.0 112.26 170.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -73.15 -25.38 60.79 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.142 1.777 . . . . 0.0 113.769 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -11.09 16.89 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -78.73 -19.49 52.24 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 119.901 1.228 . . . . 0.0 113.942 170.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -136.33 -129.41 0.14 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.578 1.951 . . . . 0.0 111.431 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -141.22 -42.84 0.38 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -138.76 -8.47 1.41 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.512 1.525 . . . . 0.0 113.213 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.56 157.76 45.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.247 1.819 . . . . 0.0 112.645 -169.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.07 111.53 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.053 1.741 . . . . 0.0 108.628 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -80.61 149.18 29.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.234 1.414 . . . . 0.0 112.031 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.7 -48.0 72.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.35 -38.72 90.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.26 0.936 . . . . 0.0 111.035 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.85 -34.78 74.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.832 1.253 . . . . 0.0 111.928 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -61.01 -39.78 91.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.99 0.916 . . . . 0.0 110.433 169.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.9 mt -71.65 -39.29 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.601 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -56.96 -42.27 79.82 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 120.271 1.396 . . . . 0.0 110.86 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -66.57 -38.36 86.9 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt -63.43 -17.1 62.33 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.485 1.039 . . . . 0.0 112.167 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.44 -37.29 69.54 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 119.627 1.103 . . . . 0.0 111.639 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.57 69.99 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 117.938 0.869 . . . . 0.0 111.572 169.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.75 -16.64 63.35 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.105 0.962 . . . . 0.0 112.974 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -82.72 -44.53 15.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.128 1.371 . . . . 0.0 110.38 168.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 60.6 ttp -66.14 -33.4 75.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.748 1.219 . . . . 0.0 113.437 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 tp -52.73 -31.6 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.76 -23.73 66.36 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 65.86 -60.9 0.28 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.998 2.919 . . . . 0.0 114.665 169.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -60.66 -35.3 75.89 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.316 1.846 . . . . 0.0 111.803 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -17.96 63.81 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -108.13 17.29 22.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.848 1.659 . . . . 0.0 113.043 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.2 -29.95 13.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.979 -1.076 . . . . 0.0 113.186 170.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.386 0 C-N-CA 125.712 1.625 . . . . 0.0 113.388 -178.526 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.42 50.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.6 p -52.43 -39.92 70.6 Favored Pre-proline 0 CA--C 1.548 0.895 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.05 -34.8 27.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.578 2.185 . . . . 0.0 113.523 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.37 -41.68 55.84 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.122 1.328 . . . . 0.0 111.001 174.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.25 -44.0 79.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.375 1.47 . . . . 0.0 112.258 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.16 -19.85 61.03 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.76 -48.99 12.7 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.46 1.027 . . . . 0.0 112.381 172.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -61.69 -37.18 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.553 1.07 . . . . 0.0 110.88 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.66 70.67 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.739 1.161 . . . . 0.0 113.757 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -53.34 44.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.76 1.28 . . . . 0.0 110.249 173.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.0 -40.62 85.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.347 1.059 . . . . 0.0 111.61 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.459 HD11 ' HB1' ' A' ' 81' ' ' ALA . 47.5 mt -66.21 -46.08 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.959 0.8 . . . . 0.0 111.032 176.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.05 -32.59 69.45 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.803 1.192 . . . . 0.0 113.214 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.57 -42.85 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.073 0.949 . . . . 0.0 110.715 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -72.15 -59.57 2.67 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -66.68 -26.1 66.87 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -54.1 -38.01 64.91 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.66 1.184 . . . . 0.0 113.704 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -80.5 -24.01 39.7 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -58.86 -20.97 55.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.708 1.203 . . . . 0.0 114.191 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.41 83.1 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.193 0.902 . . . . 0.0 114.594 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -68.12 -52.18 37.84 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.289 1.544 . . . . 0.0 110.904 170.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -88.37 -21.34 24.38 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.253 0.621 . . . . 0.0 112.615 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.96 27.58 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.182 1.372 . . . . 0.0 114.078 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -96.35 169.61 9.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.255 1.822 . . . . 0.0 113.235 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -94.31 -120.76 0.1 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.176 1.391 . . . . 0.0 110.592 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -81.94 46.31 0.99 Allowed 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.672 -1.892 . . . . 0.0 113.983 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t -154.71 144.44 21.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.997 1.719 . . . . 0.0 110.296 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -117.81 142.86 46.82 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.77 1.228 . . . . 0.0 111.83 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -78.13 171.11 15.53 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.288 -0.882 . . . . 0.0 112.702 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -63.56 -46.04 87.72 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.724 -1.235 . . . . 0.0 112.574 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -73.1 -30.76 63.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.761 0.824 . . . . 0.0 112.964 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.9 -34.88 71.99 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.733 1.213 . . . . 0.0 111.688 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.89 -44.78 79.96 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.635 1.174 . . . . 0.0 109.816 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.68 -37.59 82.11 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.867 -1.146 . . . . 0.0 112.194 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.27 -48.86 80.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.703 1.201 . . . . 0.0 111.758 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.62 -54.94 26.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.603 0.761 . . . . 0.0 110.944 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -60.75 -47.72 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.304 0.502 . . . . 0.0 111.732 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -70.3 -23.06 62.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.89 -47.72 8.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.348 1.431 . . . . 0.0 113.861 169.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -85.58 -27.96 25.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.059 0.845 . . . . 0.0 113.224 -170.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.57 46.17 1.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.239 1.816 . . . . 0.0 109.237 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.468 0.464 0 C-N-CA 126.63 1.972 . . . . 0.0 113.819 -171.19 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.23 -23.33 67.38 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.215 -1.553 . . . . 0.0 111.699 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -30.66 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.536 1.534 . . . . 0.0 112.685 169.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.64 -38.89 38.51 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.714 0.806 . . . . 0.0 110.731 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.16 -42.62 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.121 0.569 . . . . 0.0 111.472 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.43 -29.86 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.165 0.893 . . . . 0.0 112.34 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -75.13 -35.39 61.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.118 0.872 . . . . 0.0 112.258 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.78 -37.18 84.08 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.583 -0.698 . . . . 0.0 111.504 171.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -61.49 -40.67 95.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.852 0.861 . . . . 0.0 111.403 170.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.76 -36.94 84.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.1 0.96 . . . . 0.0 113.083 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.05 -18.31 60.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.938 1.245 . . . . 0.0 113.436 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -81.08 -45.41 16.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.529 1.132 . . . . 0.0 110.3 169.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.13 -17.35 64.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.987 1.715 . . . . 0.0 113.409 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.19 -24.47 64.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.187 1.795 . . . . 0.0 112.571 172.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -81.66 -43.95 17.84 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.812 . . . . 0.0 112.421 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -143.11 119.1 10.65 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.783 2.033 . . . . 0.0 109.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -79.69 7.93 7.55 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.97 -71.63 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.263 1.025 . . . . 0.0 110.303 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -124.17 141.05 52.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 108.549 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -88.09 115.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.209 1.003 . . . . 0.0 110.636 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.69 153.29 31.05 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.927 0.891 . . . . 0.0 111.709 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -48.9 -43.27 39.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.013 1.325 . . . . 0.0 114.368 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -60.05 -42.37 94.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.812 0.733 . . . . 0.0 111.796 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -75.27 -33.6 61.28 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.063 0.945 . . . . 0.0 111.378 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.91 -44.58 89.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.512 1.125 . . . . 0.0 111.776 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.99 -45.22 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.926 0.784 . . . . 0.0 110.668 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.7 m -59.95 -41.17 91.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.421 1.088 . . . . 0.0 111.706 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -68.47 -40.47 80.98 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.216 1.006 . . . . 0.0 112.144 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.22 -23.06 66.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.33 0.968 . . . . 0.0 112.327 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.12 84.07 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-N 119.148 0.886 . . . . 0.0 112.21 169.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.5 69.46 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.158 0.979 . . . . 0.0 112.943 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -64.64 -46.42 82.6 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.424 0.689 . . . . 0.0 110.835 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.93 -31.3 69.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.129 0.971 . . . . 0.0 113.359 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.2 ptm -80.88 -11.47 59.58 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.8 tp -67.53 -31.17 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 120.859 1.663 . . . . 0.0 111.438 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' TYR . . . . . 0.4 ' HA ' ' CE1' ' C' ' 200' ' ' TYR . 97.1 m-85 -69.61 50.15 0.1 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.835 2.054 . . . . 0.0 113.598 175.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -56.32 -19.86 16.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.895 1.678 . . . . 0.0 115.125 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -55.04 -33.87 63.05 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.727 1.148 . . . . 0.0 112.185 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.38 -21.25 64.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.584 1.153 . . . . 0.0 113.834 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -98.87 -3.31 35.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.363 1.465 . . . . 0.0 112.929 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.547 0.829 0 C-N-CA 124.764 1.226 . . . . 0.0 113.688 -179.384 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.155 0 CA-C-O 121.407 0.448 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.6 pp -59.58 -27.7 66.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 113.498 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.65 -30.86 23.22 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.018 1.327 . . . . 0.0 113.079 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -71.05 -10.82 60.41 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.36 -41.46 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.574 1.55 . . . . 0.0 108.544 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.3 -42.65 99.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.156 1.782 . . . . 0.0 111.097 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 66.9 tttm -54.7 -37.22 65.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.65 1.18 . . . . 0.0 112.698 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -64.65 -25.18 67.84 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.085 -1.009 . . . . 0.0 112.523 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 59.1 mt -93.87 -42.3 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.467 1.507 . . . . 0.0 110.739 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 200' ' ' TYR . . . . . 0.4 ' CE1' ' HA ' ' B' ' 84' ' ' TYR . 18.8 t80 -52.93 -44.08 66.77 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.341 1.456 . . . . 0.0 112.562 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -82.48 -0.96 48.82 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.634 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -109.62 -30.23 8.0 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.998 1.719 . . . . 0.0 112.94 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -91.22 -157.97 34.22 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 125.713 1.625 . . . . 0.0 116.1 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.77 155.7 25.93 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.991 2.516 . . . . 0.0 115.659 -169.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.43 3.96 3.11 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.478 1.911 . . . . 0.0 112.851 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -65.49 -19.1 65.79 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.773 -1.205 . . . . 0.0 113.303 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 35.8 tpp -35.78 -56.93 0.68 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 128.171 2.588 . . . . 0.0 111.932 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.14 -25.03 67.58 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 33.8 mtm105 -72.54 -34.41 67.52 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.941 0.896 . . . . 0.0 111.544 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 43.4 m -66.44 -44.05 83.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.148 0.979 . . . . 0.0 110.819 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.34 -50.12 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.289 0.636 . . . . 0.0 110.829 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -54.95 -51.29 66.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.87 0.468 . . . . 0.0 111.592 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -57.57 -49.05 77.67 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.233 -0.917 . . . . 0.0 112.383 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.78 68.64 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 124.408 1.083 . . . . 0.0 111.815 174.292 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.351 0 N-CA-C 115.648 1.019 . . . . 0.0 115.648 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 43.2 tp -55.85 -67.59 0.28 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.556 1.943 . . . . 0.0 111.72 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.23 -25.98 64.49 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -63.09 -20.9 65.79 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.926 -1.109 . . . . 0.0 113.886 172.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.64 -33.65 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.842 1.257 . . . . 0.0 109.591 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.89 -30.18 66.47 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.495 1.518 . . . . 0.0 111.486 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -55.22 -34.14 63.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.267 1.027 . . . . 0.0 112.0 171.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.91 -24.94 66.39 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.003 . . . . 0.0 113.276 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 28.1 mm -91.08 -47.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.45 1.5 . . . . 0.0 110.661 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -50.36 -45.75 55.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.915 1.286 . . . . 0.0 113.108 173.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.24 -1.88 28.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -85.23 -16.3 40.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.615 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 167.63 117.81 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.215 0.912 . . . . 0.0 114.795 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.84 -7.43 20.51 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.435 1.894 . . . . 0.0 113.42 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 205' ' ' ASP . . . . . 0.463 ' HA ' ' HE2' ' D' ' 208' ' ' LYS . 27.7 t70 -64.17 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 117.422 2.378 . . . . 0.0 117.422 -168.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -92.71 -25.94 18.0 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 40.3 tpp -57.92 -52.19 66.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.996 0.918 . . . . 0.0 110.357 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 208' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' D' ' 205' ' ' ASP . 29.8 pttt -60.32 -24.33 64.92 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 176.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -76.87 -40.79 46.34 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.39 0.996 . . . . 0.0 110.959 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.4 m -64.11 -46.08 85.77 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.114 1.366 . . . . 0.0 111.148 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.05 -49.38 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 122.839 0.456 . . . . 0.0 111.007 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -55.3 -48.87 73.47 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.61 0.641 . . . . 0.0 112.058 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.22 -52.43 64.47 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.078 -1.014 . . . . 0.0 112.1 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.54 68.83 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.4 m95 . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 124.413 1.085 . . . . 0.0 113.441 176.379 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -71.19 -31.77 2.08 Favored Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 118.83 2.9 . . . . 0.0 118.83 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -71.18 -41.55 2.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 123.153 2.162 . . . . 0.0 114.157 -169.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.07 -36.96 40.02 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.563 1.074 . . . . 0.0 111.301 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.46 -40.17 81.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.806 1.242 . . . . 0.0 112.493 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.61 -33.51 72.78 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.448 0.567 . . . . 0.0 112.287 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.46 66.7 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.383 0.992 . . . . 0.0 112.751 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.2 pt -67.28 -29.78 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.377 -0.827 . . . . 0.0 111.333 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.97 88.66 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.465 1.031 . . . . 0.0 113.017 170.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -54.01 43.16 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.012 1.325 . . . . 0.0 110.916 175.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.61 -42.58 67.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.883 1.673 . . . . 0.0 112.452 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.8 mt -65.24 -48.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.504 0.593 . . . . 0.0 111.195 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.74 -28.71 71.76 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.092 0.853 . . . . 0.0 113.405 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 mt -72.07 -47.21 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.398 1.099 . . . . 0.0 111.374 170.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -63.21 -47.44 82.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.37 -22.56 61.12 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -169.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.26 -44.19 71.62 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.186 0.903 . . . . 0.0 112.048 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.61 -36.85 23.58 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.903 1.281 . . . . 0.0 113.378 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 t -64.75 -44.13 91.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.14 4.85 85.4 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.49 1.043 . . . . 0.0 114.704 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm . . . . . 0 N--CA 1.477 0.91 0 CA-C-N 119.039 1.419 . . . . 0.0 114.184 -169.762 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 pttp . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -119.1 31.19 6.75 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.96 1.304 . . . . 0.0 112.891 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.0 p -135.87 147.68 48.31 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.306 1.842 . . . . 0.0 111.416 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -111.92 123.1 49.52 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.905 1.282 . . . . 0.0 110.309 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.2 m -77.89 168.06 20.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.018 0.527 . . . . 0.0 111.087 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -56.58 -47.55 79.31 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.7 -1.875 . . . . 0.0 114.613 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -70.84 -40.37 72.42 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.191 -0.943 . . . . 0.0 111.885 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.36 -33.66 75.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.629 1.571 . . . . 0.0 112.041 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.77 -50.59 49.15 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.961 1.704 . . . . 0.0 110.295 169.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -54.26 -38.22 65.57 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.76 1.164 . . . . 0.0 112.852 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -56.01 -52.71 63.24 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.097 0.862 . . . . 0.0 110.648 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -55.59 -55.85 27.25 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.665 0.786 . . . . 0.0 111.084 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -70.61 -17.71 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.003 1.274 . . . . 0.0 114.378 -174.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -82.16 -43.38 17.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.047 1.294 . . . . 0.0 111.846 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -85.2 -36.63 20.88 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.67 -54.96 4.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 109.67 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.7 51.85 2.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.044 0.937 . . . . 0.0 110.139 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 127.857 2.463 . . . . 0.0 112.755 -169.779 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 120.448 0.166 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.33 -25.39 68.28 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.271 -1.518 . . . . 0.0 113.144 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.61 71.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.44 1.096 . . . . 0.0 112.804 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -81.09 -34.22 32.81 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.641 0.776 . . . . 0.0 111.345 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -62.14 -43.9 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.638 0.775 . . . . 0.0 111.488 175.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.3 -30.67 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 CA-C-N 119.262 0.937 . . . . 0.0 112.286 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -79.24 -31.38 43.55 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.008 0.822 . . . . 0.0 112.356 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.95 -43.89 81.99 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 169.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -58.62 -41.83 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.838 0.855 . . . . 0.0 112.058 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.39 -35.39 80.8 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.068 0.947 . . . . 0.0 112.937 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.07 -33.63 70.42 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.224 -0.922 . . . . 0.0 112.965 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.21 -44.02 76.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.299 1.439 . . . . 0.0 111.307 169.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.75 -32.82 74.58 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.262 1.425 . . . . 0.0 113.242 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -5.94 43.68 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.438 1.017 . . . . 0.0 113.702 172.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.94 -34.73 44.18 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.18 0.9 . . . . 0.0 110.85 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -159.6 120.16 3.1 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.069 1.748 . . . . 0.0 111.069 169.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.78 131.94 50.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.504 1.922 . . . . 0.0 114.404 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 77.19 -36.2 0.24 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 130.025 3.33 . . . . 0.0 113.532 170.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 131.81 18.14 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.717 0.807 . . . . 0.0 111.056 169.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -94.45 123.16 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.384 1.474 . . . . 0.0 108.392 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -78.74 162.23 26.3 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 111.087 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.95 -41.76 64.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.92 -48.58 81.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.005 0.522 . . . . 0.0 110.957 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -70.56 -30.34 67.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.303 1.041 . . . . 0.0 112.385 -175.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.69 -41.73 95.73 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.44 0.696 . . . . 0.0 110.797 169.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.38 -35.98 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.418 -0.801 . . . . 0.0 112.429 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.1 m -54.93 -45.03 74.77 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.389 0.995 . . . . 0.0 110.904 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -63.35 -42.74 98.93 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.78 -22.49 65.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.549 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.04 -38.0 94.88 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 119.19 0.905 . . . . 0.0 112.734 169.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.7 -43.77 68.32 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 118.09 0.945 . . . . 0.0 111.509 171.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.94 -45.88 78.67 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.203 0.601 . . . . 0.0 111.431 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.989 1.316 . . . . 0.0 113.501 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.9 tpt -73.65 -37.09 65.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.914 0.779 . . . . 0.0 111.666 170.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -31.56 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.674 0.79 . . . . 0.0 111.448 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -69.4 42.31 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.629 1.572 . . . . 0.0 112.624 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -58.24 -19.44 34.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.751 2.02 . . . . 0.0 115.701 -169.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.67 -26.15 55.69 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.709 1.14 . . . . 0.0 112.928 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.36 -25.29 67.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.85 1.26 . . . . 0.0 113.499 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.05 -29.7 15.67 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.912 1.285 . . . . 0.0 110.953 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -71.41 -40.1 70.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.607 0.763 . . . . 0.0 112.421 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.335 0 C-N-CA 125.794 1.664 . . . . 0.0 114.097 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.7 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -169.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -53.03 -38.64 62.82 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.84 -32.96 77.19 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.878 3.052 . . . . 0.0 113.757 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.28 -43.89 20.53 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.853 0.752 . . . . 0.0 111.119 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -59.28 -39.97 84.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.465 0.706 . . . . 0.0 111.817 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -71.42 -23.85 61.93 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.36 -43.23 19.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.44 1.096 . . . . 0.0 112.778 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 pt -64.9 -32.88 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 120.513 -1.367 . . . . 0.0 110.128 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -19.87 67.56 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.819 1.2 . . . . 0.0 113.369 169.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -51.55 31.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.527 1.663 . . . . 0.0 109.071 170.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -57.69 -41.7 82.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.764 0.826 . . . . 0.0 110.939 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.454 HD12 ' CZ ' ' B' ' 70' ' ' PHE . 5.2 mm -75.75 -37.19 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 118.797 0.726 . . . . 0.0 111.92 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.15 -26.85 73.36 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.199 0.904 . . . . 0.0 112.63 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 38.3 mt -74.74 -56.61 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.499 1.12 . . . . 0.0 110.785 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -63.08 -53.79 48.08 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.538 0.735 . . . . 0.0 112.349 -170.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.97 -25.12 61.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.79 -48.88 79.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.865 0.866 . . . . 0.0 111.076 169.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.21 -27.9 64.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -67.63 -46.5 72.31 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.373 0.988 . . . . 0.0 110.87 169.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.28 -18.44 75.05 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.256 1.408 . . . . 0.0 114.101 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.15 -34.19 77.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.597 1.159 . . . . 0.0 111.71 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -87.24 -33.1 19.41 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.423 1.089 . . . . 0.0 111.708 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 10.21 64.05 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.172 1.368 . . . . 0.0 114.467 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -91.06 -149.11 0.22 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.434 1.494 . . . . 0.0 111.241 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.0 176.22 4.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.987 1.315 . . . . 0.0 112.21 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -72.49 59.91 0.45 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.161 2.184 . . . . 0.0 113.217 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.4 p -133.45 167.15 20.96 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.868 2.067 . . . . 0.0 110.94 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.69 141.34 34.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.475 1.51 . . . . 0.0 111.174 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.2 p -82.82 160.38 22.24 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -59.71 -33.46 71.64 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.406 -1.434 . . . . 0.0 113.297 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -69.34 -34.61 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.13 -39.24 75.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.518 1.053 . . . . 0.0 111.357 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.472 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -60.34 -41.79 94.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.809 1.243 . . . . 0.0 110.87 169.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -61.78 -37.74 85.47 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.238 -1.538 . . . . 0.0 112.37 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.08 -44.46 88.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.23 0.612 . . . . 0.0 111.858 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.29 -49.01 67.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.725 1.21 . . . . 0.0 110.595 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.3 mt -60.72 -47.12 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.088 0.955 . . . . 0.0 111.749 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.92 -20.12 64.22 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.303 1.41 . . . . 0.0 113.197 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -60.32 2.4 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.595 1.158 . . . . 0.0 111.424 169.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -89.82 -17.3 28.4 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -135.7 37.95 2.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.688 2.395 . . . . 0.0 109.626 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.476 0.86 0 C-N-CA 127.701 2.4 . . . . 0.0 113.005 -170.782 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -53.15 -37.41 61.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.716 1.606 . . . . 0.0 112.728 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -27.87 69.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.97 1.308 . . . . 0.0 113.666 173.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.35 -37.5 25.57 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.822 0.849 . . . . 0.0 111.082 170.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.1 mm -62.96 -41.52 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.051 0.94 . . . . 0.0 111.728 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.11 -29.77 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.266 0.939 . . . . 0.0 112.303 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -78.16 -32.84 50.4 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.352 1.433 . . . . 0.0 111.519 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -65.38 -28.46 69.29 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.373 0.988 . . . . 0.0 112.513 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -78.14 -31.56 49.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.954 1.301 . . . . 0.0 112.642 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.58 -33.16 72.33 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.96 1.304 . . . . 0.0 111.941 171.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.28 -51.57 65.57 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.88 1.272 . . . . 0.0 109.689 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.69 -22.89 66.07 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 -59.9 -15.06 18.56 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -70.8 -26.75 63.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.194 0.906 . . . . 0.0 113.202 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -132.98 -150.02 0.4 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.706 2.002 . . . . 0.0 111.745 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.21 -28.28 8.71 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -171.43 -27.63 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.602 1.561 . . . . 0.0 112.927 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.01 141.43 52.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.516 1.127 . . . . 0.0 111.311 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.87 135.75 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.227 1.411 . . . . 0.0 108.801 169.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.16 179.48 5.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.93 0.872 . . . . 0.0 110.645 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.454 ' CZ ' HD12 ' B' ' 13' ' ' ILE . 30.0 t80 -56.29 -40.88 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -40.78 79.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.792 0.724 . . . . 0.0 111.26 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.31 -37.32 86.81 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.964 0.905 . . . . 0.0 112.084 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.08 -44.77 94.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.109 0.413 . . . . 0.0 111.665 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 27.0 mm -71.65 -41.01 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.516 -0.74 . . . . 0.0 110.875 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -61.52 -45.21 95.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.022 1.329 . . . . 0.0 111.312 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -68.82 -37.74 79.4 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.211 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.7 -31.01 72.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.97 1.259 . . . . 0.0 111.899 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.94 71.68 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.198 0.904 . . . . 0.0 113.459 170.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.25 -48.59 12.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.299 1.05 . . . . 0.0 111.344 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 23.7 tp -52.63 -46.29 67.01 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.709 1.204 . . . . 0.0 111.379 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.73 66.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.718 1.207 . . . . 0.0 113.708 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.2 tpt -78.64 -35.82 44.87 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.366 1.066 . . . . 0.0 112.166 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.54 -34.59 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.679 0.672 . . . . 0.0 109.852 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' TYR . . . . . 0.423 ' HA ' ' CZ ' ' C' ' 200' ' ' TYR . 3.6 m-30 -70.7 40.99 0.06 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 126.654 1.981 . . . . 0.0 113.45 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.55 -25.62 27.1 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 128.089 2.555 . . . . 0.0 116.596 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -66.02 -24.76 66.82 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.674 1.124 . . . . 0.0 112.455 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.08 79.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.912 -1.118 . . . . 0.0 111.637 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.09 -23.81 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.283 1.033 . . . . 0.0 111.994 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 41.7 mttp . . . . . 0 CA--C 1.55 0.945 0 CA-C-N 119.804 1.183 . . . . 0.0 113.903 173.062 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.197 0 N-CA-C 113.967 0.347 . . . . 0.0 113.967 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.72 -32.82 31.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.57 1.948 . . . . 0.0 114.094 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 76.6 mtm -49.97 -32.68 15.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.39 1.476 . . . . 0.0 112.515 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -63.86 -22.81 67.09 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.49 -41.86 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.44 1.896 . . . . 0.0 109.336 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.57 -41.46 97.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.424 1.489 . . . . 0.0 111.408 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.41 -32.72 73.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.587 0.755 . . . . 0.0 112.803 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -66.96 -28.33 68.19 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.192 -0.942 . . . . 0.0 112.544 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 81.7 mt -89.34 -44.09 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.148 1.779 . . . . 0.0 110.278 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 200' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' B' ' 84' ' ' TYR . 4.0 t80 -46.24 -48.37 17.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.783 1.633 . . . . 0.0 113.32 170.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.81 -4.56 24.72 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -109.59 10.04 25.08 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.485 1.914 . . . . 0.0 112.853 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.45 -179.72 44.9 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 126.173 1.844 . . . . 0.0 115.687 -173.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.06 153.3 24.97 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.269 1.428 . . . . 0.0 114.546 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.93 -17.22 53.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.594 1.558 . . . . 0.0 114.65 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.39 -13.1 61.71 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.6 ttm -49.67 -65.3 0.59 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 0.0 111.18 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -58.94 -32.87 69.98 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.442 -0.787 . . . . 0.0 112.811 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.76 -43.34 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.076 0.95 . . . . 0.0 111.704 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 23.0 m -78.86 -37.29 40.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.9 1.28 . . . . 0.0 111.211 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 16.8 mm -55.48 -50.04 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.583 0.753 . . . . 0.0 111.145 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.52 -50.49 72.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.426 0.691 . . . . 0.0 111.317 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -57.54 -52.71 64.31 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.086 -1.009 . . . . 0.0 112.549 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.3 67.59 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 . . . . . 0 CA--C 1.54 0.567 0 C-N-CA 123.636 0.775 . . . . 0.0 111.884 171.502 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.147 0 CA-C-O 119.208 -0.773 . . . . 0.0 114.804 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.47 -32.53 62.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 113.943 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.8 ptp -53.1 -28.36 24.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.894 1.278 . . . . 0.0 113.698 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.47 -20.52 65.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.282 1.033 . . . . 0.0 113.775 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.17 -42.71 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.375 1.47 . . . . 0.0 108.738 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -65.97 -33.06 74.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.147 1.379 . . . . 0.0 112.034 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.54 -32.65 67.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.977 0.911 . . . . 0.0 112.676 171.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -68.09 -16.4 64.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.279 -0.888 . . . . 0.0 113.218 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 37.4 mm -92.96 -45.14 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.077 1.351 . . . . 0.0 110.51 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -51.0 -41.63 59.87 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.906 1.282 . . . . 0.0 113.501 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.72 -3.51 15.69 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.59 -30.01 36.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.997 0.919 . . . . 0.0 112.648 170.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.86 170.85 26.75 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.965 1.745 . . . . 0.0 114.74 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -160.37 146.37 15.27 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.424 1.49 . . . . 0.0 111.753 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 205' ' ' ASP . . . . . 0.527 ' HA ' ' HE3' ' D' ' 208' ' ' LYS . 32.5 t70 -95.76 -23.7 16.84 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -91.94 -24.04 19.39 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -61.14 2.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.923 1.289 . . . . 0.0 110.722 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 208' ' ' LYS . . . . . 0.527 ' HE3' ' HA ' ' D' ' 205' ' ' ASP . 19.0 pttp -67.04 -24.84 66.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.456 1.502 . . . . 0.0 113.967 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -68.51 -35.23 77.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.881 0.764 . . . . 0.0 111.793 173.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.5 m -67.04 -48.06 69.47 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.238 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.1 mm -52.54 -42.35 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.31 0.644 . . . . 0.0 111.567 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -62.1 -66.03 0.6 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.117 0.567 . . . . 0.0 111.502 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -60.85 -33.5 73.15 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.55 -1.344 . . . . 0.0 113.663 -172.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.35 62.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.2 t90 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 123.935 0.894 . . . . 0.0 112.328 171.765 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -53.32 -29.73 4.88 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -62.13 -38.31 57.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.396 2.064 . . . . 0.0 113.007 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -80.25 -38.93 29.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.717 0.69 . . . . 0.0 111.428 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -61.94 -36.13 80.49 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.591 0.632 . . . . 0.0 112.429 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -76.59 -17.0 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.0 -52.1 7.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.753 1.16 . . . . 0.0 112.509 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.9 pt -64.09 -32.7 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 120.892 -1.13 . . . . 0.0 111.338 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.89 -22.58 73.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.612 1.101 . . . . 0.0 113.671 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -48.01 66.9 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.94 1.37 . . . . 0.0 109.549 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.84 -41.77 92.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.2 1.0 . . . . 0.0 110.897 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.98 -51.05 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.778 0.717 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.72 -29.02 72.71 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 124.368 0.985 . . . . 0.0 113.037 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.6 mt -68.39 -58.67 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 169.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 29' ' ' LEU . 68.3 t80 -59.78 -49.6 77.1 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.991 1.316 . . . . 0.0 113.815 -170.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -69.71 -20.33 63.54 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.48 -36.28 83.42 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.771 -1.206 . . . . 0.0 111.585 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 97.6 m-85 -81.18 -26.65 35.83 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.444 1.097 . . . . 0.0 113.298 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -56.34 -30.26 62.4 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.51 11.53 54.08 Favored Glycine 0 N--CA 1.471 1.013 0 C-N-CA 125.168 1.366 . . . . 0.0 114.966 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 119.403 1.602 . . . . 0.0 111.355 -176.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.7 mttp . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.415 0.626 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -74.15 60.92 0.82 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 125.488 1.515 . . . . 0.0 113.536 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -160.55 148.88 16.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.347 2.259 . . . . 0.0 110.258 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 16' ' ' PHE . 9.2 mp -118.29 149.05 41.8 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.802 1.241 . . . . 0.0 110.732 -175.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -77.57 169.83 17.62 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.009 -1.057 . . . . 0.0 111.324 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -53.69 -53.44 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.701 -1.249 . . . . 0.0 112.011 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.95 -41.31 97.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.404 1.082 . . . . 0.0 112.111 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.38 -35.13 78.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.386 1.074 . . . . 0.0 111.947 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.75 -43.09 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.606 1.162 . . . . 0.0 111.077 169.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -56.53 -38.4 71.8 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.923 -1.111 . . . . 0.0 110.811 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -66.38 -43.07 86.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.331 1.053 . . . . 0.0 112.077 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 7.4 tt -52.29 -47.93 65.61 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.516 1.053 . . . . 0.0 110.384 169.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.94 -47.31 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.206 0.912 . . . . 0.0 111.292 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -64.93 -39.66 93.86 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.988 0.813 . . . . 0.0 113.018 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -87.01 -35.75 18.61 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -87.31 -49.02 7.53 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.281 0.946 . . . . 0.0 112.786 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.9 mt -87.94 77.47 8.47 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.513 1.149 . . . . 0.0 108.834 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p . . . . . 0 N--CA 1.479 0.99 0 C-N-CA 128.015 2.526 . . . . 0.0 113.798 -174.14 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -52.15 -42.62 63.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.633 1.56 . . . . 0.0 113.668 -172.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.48 69.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.445 1.098 . . . . 0.0 112.936 175.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -81.19 -33.4 33.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.901 1.28 . . . . 0.0 111.305 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.8 mm -63.91 -45.13 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.053 -1.029 . . . . 0.0 111.524 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.25 -22.24 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.846 0.748 . . . . 0.0 112.537 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -79.05 -38.85 35.41 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 112.194 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.15 -37.44 87.46 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.53 1.132 . . . . 0.0 111.679 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.0 ttp -57.49 -41.16 80.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.913 1.285 . . . . 0.0 111.815 169.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.35 -36.76 68.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.76 0.824 . . . . 0.0 112.863 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -64.66 -31.6 72.89 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.17 0.896 . . . . 0.0 112.544 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.43 -44.6 71.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -69.18 -20.54 64.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.93 1.292 . . . . 0.0 114.392 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -48.04 -32.4 6.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.159 1.384 . . . . 0.0 112.965 171.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -78.59 -4.48 49.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.39 1.476 . . . . 0.0 113.728 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -149.51 -130.35 0.05 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.012 1.325 . . . . 0.0 111.585 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.95 -53.39 0.09 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.06 . . . . 0.0 113.625 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -105.32 -42.92 5.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.291 1.036 . . . . 0.0 111.915 -176.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.34 157.94 44.25 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.212 1.805 . . . . 0.0 112.016 -169.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.22 102.43 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.036 2.135 . . . . 0.0 108.812 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.11 155.41 27.52 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.87 1.268 . . . . 0.0 112.452 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -51.34 -39.13 56.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.805 1.642 . . . . 0.0 114.602 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.61 -47.39 85.66 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.081 0.552 . . . . 0.0 110.866 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.06 -35.46 66.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.154 0.582 . . . . 0.0 111.161 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.44 -48.64 76.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.889 1.275 . . . . 0.0 111.815 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -74.06 -37.37 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.367 0.985 . . . . 0.0 112.075 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.8 m -54.22 -44.77 71.98 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.233 1.013 . . . . 0.0 111.041 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -70.94 -40.19 72.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.655 1.182 . . . . 0.0 113.115 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.22 -19.26 61.44 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.854 0.752 . . . . 0.0 112.581 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.17 -38.38 95.86 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.688 1.131 . . . . 0.0 112.5 169.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.53 65.3 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.135 0.967 . . . . 0.0 111.967 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.5 -18.73 64.45 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.57 -46.73 15.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 168.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.0 ttp -65.72 -26.93 67.97 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 tp -58.02 -31.41 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.721 0.808 . . . . 0.0 113.016 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -74.13 48.35 0.31 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.654 1.581 . . . . 0.0 112.332 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -50.33 -19.77 0.91 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.06 2.944 . . . . 0.0 116.735 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.65 -41.24 85.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.648 1.567 . . . . 0.0 111.568 170.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 -16.02 63.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.53 1.132 . . . . 0.0 113.428 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.93 7.81 45.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.502 1.921 . . . . 0.0 111.481 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -121.55 -45.0 2.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.395 1.478 . . . . 0.0 111.984 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.675 -1.625 . . . . 0.0 113.233 176.706 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mmm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.78 68.03 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -63.02 -39.64 54.3 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -173.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -57.88 -39.21 88.6 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.622 2.881 . . . . 0.0 114.141 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.42 -43.25 50.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.402 1.001 . . . . 0.0 111.252 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.25 -38.4 79.97 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.775 1.23 . . . . 0.0 112.817 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.94 -27.26 60.93 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.79 -48.39 25.68 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.764 1.165 . . . . 0.0 112.059 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.1 pt -64.03 -29.54 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.053 -1.029 . . . . 0.0 111.696 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.43 -27.17 73.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.309 0.956 . . . . 0.0 113.481 172.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -48.43 73.0 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.851 1.326 . . . . 0.0 110.153 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.55 -40.57 87.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.027 0.931 . . . . 0.0 111.796 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -64.4 -45.48 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.063 0.847 . . . . 0.0 110.808 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -30.84 74.54 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.358 0.98 . . . . 0.0 113.318 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -76.45 -44.04 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.159 0.984 . . . . 0.0 112.206 171.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -73.76 -54.08 8.86 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.764 0.826 . . . . 0.0 112.838 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -73.17 -21.01 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -66.21 -29.21 69.43 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.14 -0.975 . . . . 0.0 112.772 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -81.15 -30.5 34.43 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 169.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.7 m -64.47 -49.65 70.59 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.701 -1.25 . . . . 0.0 111.595 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.89 -15.59 69.39 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.032 1.301 . . . . 0.0 114.423 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -64.17 -33.32 75.53 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.296 1.048 . . . . 0.0 111.601 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -100.46 -21.5 15.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.461 1.504 . . . . 0.0 113.044 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.55 18.9 31.38 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.581 1.563 . . . . 0.0 114.021 -176.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -74.69 144.54 43.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.336 1.054 . . . . 0.0 112.885 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -77.52 -48.11 17.87 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -149.15 24.95 0.91 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.773 1.229 . . . . 0.0 113.889 -171.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -147.1 161.03 41.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.888 0.875 . . . . 0.0 113.028 -169.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt -131.47 148.61 52.66 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.91 2.084 . . . . 0.0 109.539 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.3 p -78.99 161.2 26.8 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.678 -0.639 . . . . 0.0 109.455 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -56.27 -30.28 62.24 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.861 -1.15 . . . . 0.0 113.202 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.32 -39.42 32.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 112.779 173.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.54 -36.21 82.13 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.473 1.033 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.1 tm? -60.14 -46.17 90.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.367 1.067 . . . . 0.0 109.999 169.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -58.81 -39.88 82.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.285 -0.885 . . . . 0.0 111.968 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -66.18 -41.23 90.54 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.104 0.865 . . . . 0.0 112.464 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tt -54.29 -51.9 63.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.151 0.98 . . . . 0.0 110.594 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.14 -42.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.879 -0.581 . . . . 0.0 111.757 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.32 -32.0 72.7 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.194 0.907 . . . . 0.0 113.005 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -49.99 7.51 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.573 1.079 . . . . 0.0 113.035 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -85.34 -33.0 22.15 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.986 0.914 . . . . 0.0 113.103 -169.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.8 49.94 0.95 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.92 1.688 . . . . 0.0 108.636 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 123.635 0.774 . . . . 0.0 111.29 -177.019 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 119.296 -0.383 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.12 -53.59 7.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.583 1.953 . . . . 0.0 114.355 -168.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.91 66.52 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.812 0.845 . . . . 0.0 113.088 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.09 -43.26 19.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.525 0.73 . . . . 0.0 110.808 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.63 -36.48 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.83 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.7 m -66.72 -29.67 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.197 1.362 . . . . 0.0 113.038 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -81.06 -34.18 32.92 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.265 0.939 . . . . 0.0 112.891 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.29 -41.8 89.27 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.593 -1.317 . . . . 0.0 112.351 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -27.99 66.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.209 0.913 . . . . 0.0 111.855 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.91 -26.07 63.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.069 1.347 . . . . 0.0 112.895 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.67 -27.36 37.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.437 1.095 . . . . 0.0 113.386 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.38 -42.3 36.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.771 1.228 . . . . 0.0 111.693 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.91 -31.82 66.76 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.227 1.411 . . . . 0.0 114.238 -176.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -63.92 -9.49 15.72 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -68.9 -22.2 64.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.896 0.879 . . . . 0.0 112.338 169.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -136.32 -129.4 0.14 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.637 2.375 . . . . 0.0 109.528 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -150.4 6.8 0.57 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -170.66 -32.93 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.372 1.469 . . . . 0.0 112.667 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -134.29 164.28 27.74 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.177 1.391 . . . . 0.0 111.665 -171.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.72 123.97 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.448 1.499 . . . . 0.0 109.797 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -81.96 164.24 21.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.183 0.993 . . . . 0.0 111.808 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -60.79 -43.14 98.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -172.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.8 -33.66 75.24 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.206 -0.934 . . . . 0.0 111.799 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.3 -39.27 82.09 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.194 0.907 . . . . 0.0 111.399 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -61.65 -43.91 97.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.917 1.287 . . . . 0.0 111.609 172.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.08 -35.44 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.001 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 92.1 m -59.23 -43.58 92.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.387 1.075 . . . . 0.0 110.789 172.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.18 -42.74 99.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.275 172.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.86 -28.75 70.06 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.836 1.198 . . . . 0.0 112.319 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.74 95.23 Favored Glycine 0 N--CA 1.468 0.826 0 C-N-CA 124.544 1.069 . . . . 0.0 112.141 169.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.66 85.18 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 117.976 0.888 . . . . 0.0 112.819 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.47 -47.7 81.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.598 1.159 . . . . 0.0 110.801 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -31.37 72.08 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.784 1.234 . . . . 0.0 113.145 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 53.6 tpp -68.51 -40.97 80.63 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.143 0.977 . . . . 0.0 112.072 173.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.01 -34.02 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.716 0.807 . . . . 0.0 110.967 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -72.54 47.59 0.17 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.938 1.351 . . . . 0.0 112.005 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.02 -25.21 63.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.087 2.155 . . . . 0.0 115.363 -169.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.12 -42.98 79.4 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.31 0.959 . . . . 0.0 111.115 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.0 86.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.034 -1.041 . . . . 0.0 111.118 173.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.03 -2.19 17.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.96 1.704 . . . . 0.0 114.0 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 125.025 1.33 . . . . 0.0 113.761 174.705 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 CA-C-O 120.803 0.113 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.26 -47.6 85.29 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.275 0.63 . . . . 0.0 112.213 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -58.97 -17.59 26.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.356 1.462 . . . . 0.0 114.326 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -86.53 -16.04 38.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 79.8 t -95.33 -40.57 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.425 1.49 . . . . 0.0 108.373 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.19 -30.98 62.48 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.713 1.605 . . . . 0.0 112.008 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -61.54 -26.71 68.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.79 1.177 . . . . 0.0 113.467 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -65.53 -25.94 67.67 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.302 -0.874 . . . . 0.0 111.954 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 28.3 mt -92.12 -36.11 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.488 1.515 . . . . 0.0 110.411 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -54.98 -41.83 71.68 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.043 -1.036 . . . . 0.0 112.766 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -70.69 -9.67 57.66 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -111.21 13.85 21.76 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.548 2.339 . . . . 0.0 112.528 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.81 147.06 37.67 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.73 1.633 . . . . 0.0 115.718 -169.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -78.18 143.02 37.56 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.293 1.437 . . . . 0.0 114.326 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.74 -29.34 51.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.741 1.216 . . . . 0.0 114.084 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -73.21 -19.4 61.1 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.014 0.825 . . . . 0.0 112.95 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.3 -38.52 87.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.846 0.748 . . . . 0.0 111.436 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.72 -30.05 71.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.847 0.859 . . . . 0.0 113.025 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -77.97 -35.43 50.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.328 0.651 . . . . 0.0 112.517 170.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 86.6 m -61.81 -53.91 49.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.827 1.651 . . . . 0.0 111.638 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.05 -29.15 42.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -75.65 -54.96 6.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.192 0.997 . . . . 0.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.31 -41.25 96.67 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.634 -1.291 . . . . 0.0 112.066 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.15 68.35 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 . . . . . 0 CA--C 1.541 0.597 0 CA-C-N 118.735 0.698 . . . . 0.0 110.997 170.249 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.988 0 N-CA-C 112.649 -0.18 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.29 -32.95 73.75 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.394 1.078 . . . . 0.0 113.657 -174.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -54.09 -29.76 45.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.702 1.201 . . . . 0.0 113.824 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -67.51 -17.18 64.57 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.17 -35.69 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.437 1.495 . . . . 0.0 109.794 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.25 -31.9 73.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.44 1.096 . . . . 0.0 111.238 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -52.35 -32.95 40.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.973 1.309 . . . . 0.0 112.607 170.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -71.18 -15.15 62.46 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.894 -1.129 . . . . 0.0 113.146 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.82 -43.5 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.495 1.518 . . . . 0.0 110.789 170.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.36 -43.83 68.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.702 0.801 . . . . 0.0 113.005 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.24 -0.64 15.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.637 1.575 . . . . 0.0 113.844 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.57 -23.36 53.53 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.981 0.912 . . . . 0.0 112.051 169.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.25 15.85 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.494 1.997 . . . . 0.0 113.432 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.49 159.21 21.81 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.336 1.854 . . . . 0.0 110.725 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -155.79 -50.41 0.08 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.34 -28.64 63.18 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.887 0.767 . . . . 0.0 112.64 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 17.7 mmt -48.56 -50.07 33.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.707 1.203 . . . . 0.0 111.054 169.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.53 -20.4 66.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.252 1.021 . . . . 0.0 112.934 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -88.25 -42.15 12.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.713 0.805 . . . . 0.0 111.919 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.1 m -70.5 -48.27 56.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 111.879 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.63 -44.32 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.864 0.466 . . . . 0.0 110.236 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -55.07 -60.83 2.84 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.863 0.465 . . . . 0.0 111.546 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -61.37 -37.13 82.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.995 -1.066 . . . . 0.0 113.017 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.45 84.1 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.9 m95 . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 123.066 0.546 . . . . 0.0 111.729 175.723 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -40.86 -49.88 7.54 Favored Pre-proline 0 N--CA 1.478 0.972 0 N-CA-C 117.352 2.352 . . . . 0.0 117.352 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.22 -28.87 33.4 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.116 1.877 . . . . 0.0 113.527 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -82.21 -39.47 23.07 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.168 0.894 . . . . 0.0 112.096 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.68 -36.57 79.07 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.827 1.651 . . . . 0.0 112.555 -176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -67.21 -30.8 70.83 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 170.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.98 -47.15 14.03 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.455 1.025 . . . . 0.0 112.262 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -62.84 -29.12 46.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.763 0.711 . . . . 0.0 111.343 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -25.47 73.88 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-O 118.283 -1.287 . . . . 0.0 114.146 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -49.25 55.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.704 1.752 . . . . 0.0 109.802 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.54 HD23 HD11 ' B' ' 5' ' ' LEU . 11.8 mt -57.68 -41.97 82.66 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.656 1.182 . . . . 0.0 111.998 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.89 -38.67 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.761 0.71 . . . . 0.0 111.15 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.31 -47.95 88.07 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.434 1.016 . . . . 0.0 112.102 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.93 -36.73 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.376 1.088 . . . . 0.0 111.717 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.31 -59.8 3.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.949 0.9 . . . . 0.0 111.788 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -23.44 61.6 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -170.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -53.62 -42.86 68.19 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.025 1.33 . . . . 0.0 111.047 169.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.5 -38.79 25.74 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 117.791 -1.1 . . . . 0.0 113.716 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.3 m -58.82 -29.33 66.82 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.662 1.573 . . . . 0.0 113.769 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.82 60.6 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.848 -0.973 . . . . 0.0 114.89 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.469 0.52 0 CA-C-N 119.358 1.579 . . . . 0.0 111.863 171.097 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 20.04 0.06 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -141.47 143.25 33.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.039 1.735 . . . . 0.0 111.55 -172.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 mt -104.75 137.72 42.13 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 0.0 109.465 169.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.2 m -78.48 157.82 28.8 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.21 -0.931 . . . . 0.0 111.045 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -58.24 -36.17 72.8 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.049 -1.657 . . . . 0.0 114.863 -169.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -78.3 -30.75 48.55 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -67.01 -41.95 85.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.094 1.758 . . . . 0.0 109.989 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.67 -45.77 88.66 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.729 2.012 . . . . 0.0 110.104 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.13 -43.11 99.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.774 -1.203 . . . . 0.0 111.781 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -62.12 -36.5 81.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.418 0.687 . . . . 0.0 112.327 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.57 -50.46 73.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.686 0.794 . . . . 0.0 110.111 169.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.33 -41.26 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 118.02 -0.991 . . . . 0.0 111.631 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -59.51 -32.54 70.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.293 1.406 . . . . 0.0 112.958 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -84.76 -39.18 18.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.621 0.768 . . . . 0.0 112.585 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.38 -67.14 0.46 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.924 0.89 . . . . 0.0 110.341 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -94.54 76.43 3.81 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.865 1.266 . . . . 0.0 110.146 -171.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 169.274 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -56.28 -42.91 78.27 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.168 1.349 . . . . 0.0 113.559 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.17 68.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 113.429 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -81.02 -38.7 27.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.403 0.681 . . . . 0.0 111.118 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -67.21 -37.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.226 0.921 . . . . 0.0 112.103 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.81 -29.44 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.639 1.109 . . . . 0.0 112.024 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.46 -33.08 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 170.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -46.85 88.28 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.788 -1.195 . . . . 0.0 111.341 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -64.95 -28.87 69.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.5 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.87 -31.1 70.68 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.504 1.047 . . . . 0.0 112.64 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.19 -19.4 47.14 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 170.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.34 -40.82 25.93 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.379 1.071 . . . . 0.0 110.778 169.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.68 -6.69 33.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.115 2.166 . . . . 0.0 112.919 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -58.74 -22.17 57.05 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.815 1.246 . . . . 0.0 112.554 172.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -81.88 -30.61 31.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.59 1.556 . . . . 0.0 113.129 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -171.35 129.67 0.71 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.269 2.628 . . . . 0.0 110.334 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.42 -17.48 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 -168.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -108.16 -22.61 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -161.23 160.21 29.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.291 1.037 . . . . 0.0 112.28 -169.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.9 114.65 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.398 1.479 . . . . 0.0 109.656 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -77.83 149.61 34.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -53.05 -40.42 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -175.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -61.82 -40.73 96.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.257 -0.902 . . . . 0.0 111.323 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -74.35 -31.98 62.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.509 1.124 . . . . 0.0 111.854 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.58 -45.12 94.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.795 1.238 . . . . 0.0 111.163 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mm -64.71 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.35 -0.844 . . . . 0.0 110.95 173.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -59.5 -44.47 93.09 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.399 1.08 . . . . 0.0 110.971 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -62.97 -40.63 98.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.601 0.76 . . . . 0.0 112.202 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.88 -27.62 68.35 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.423 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.39 93.25 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.005 0.812 . . . . 0.0 112.57 170.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.51 -45.23 76.41 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 117.821 0.81 . . . . 0.0 111.517 170.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.44 -44.31 80.33 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.757 1.223 . . . . 0.0 111.601 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.87 78.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.137 1.375 . . . . 0.0 113.093 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.46 -33.38 58.73 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.522 0.729 . . . . 0.0 112.619 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -35.88 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.493 -0.755 . . . . 0.0 110.564 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -72.26 52.63 0.27 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.819 1.248 . . . . 0.0 111.339 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -52.44 -28.0 18.3 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.86 -35.8 58.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.946 1.248 . . . . 0.0 112.694 170.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -22.17 66.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.796 1.238 . . . . 0.0 113.107 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -100.71 12.47 37.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.286 1.834 . . . . 0.0 112.062 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -127.21 -42.87 1.67 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.113 1.365 . . . . 0.0 112.924 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 C-N-CA 126.695 2.093 . . . . 0.0 112.074 177.327 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 110.804 -0.073 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.58 -26.54 55.17 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -169.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -48.49 -40.9 42.96 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -169.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.14 -42.58 34.87 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.492 2.128 . . . . 0.0 113.184 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.54 HD11 HD23 ' A' ' 12' ' ' LEU . 11.4 tp -80.25 -39.2 29.42 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.348 0.522 . . . . 0.0 111.658 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -33.99 77.29 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.553 1.141 . . . . 0.0 112.23 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.99 -24.95 58.5 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.774 0.716 . . . . 0.0 112.419 171.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.86 30.68 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.902 1.228 . . . . 0.0 111.93 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.5 pt -64.89 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.418 1.008 . . . . 0.0 110.064 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -22.77 66.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.49 1.519 . . . . 0.0 114.004 170.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -51.19 18.63 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.155 1.477 . . . . 0.0 109.647 172.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.34 -43.91 83.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.954 0.901 . . . . 0.0 111.01 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.41 -42.57 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 118.249 0.477 . . . . 0.0 111.097 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -38.35 94.2 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.005 0.821 . . . . 0.0 112.834 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 33.0 mt -67.0 -36.04 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.241 1.017 . . . . 0.0 111.744 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.97 -51.66 13.1 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.955 0.902 . . . . 0.0 112.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -25.38 60.76 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -169.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -64.57 -33.15 75.24 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.862 -0.524 . . . . 0.0 112.276 171.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -82.52 -41.99 18.97 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.7 p -66.49 -11.48 52.54 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 -3.26 78.86 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.301 0.953 . . . . 0.0 114.972 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -74.75 -52.52 11.31 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.222 1.511 . . . . 0.0 112.691 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -124.78 -40.57 2.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.215 1.406 . . . . 0.0 111.7 -169.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -153.2 26.33 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.504 1.526 . . . . 0.0 113.564 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -165.24 164.52 20.02 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.38 1.872 . . . . 0.0 111.832 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 83.3 tttt 57.92 -101.64 0.13 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.803 1.641 . . . . 0.0 112.528 175.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.436 ' CD2' HD21 ' B' ' 69' ' ' ASN . 0.3 OUTLIER -133.1 25.47 4.23 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.793 1.637 . . . . 0.0 114.441 -169.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.4 p -127.89 151.53 48.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.609 1.164 . . . . 0.0 112.402 176.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.49 137.59 49.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.339 1.856 . . . . 0.0 109.87 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -78.41 166.13 22.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.349 -0.844 . . . . 0.0 111.058 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.93 -51.65 68.77 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.048 -1.658 . . . . 0.0 113.682 -170.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -72.77 -30.11 63.85 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.575 -0.703 . . . . 0.0 112.155 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.28 -42.41 93.2 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.289 1.436 . . . . 0.0 110.909 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.02 -46.15 85.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.39 1.076 . . . . 0.0 111.175 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.39 -37.8 76.03 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.28 -0.888 . . . . 0.0 111.797 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -66.47 -41.6 88.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.239 1.016 . . . . 0.0 111.696 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -55.57 -55.81 27.66 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.292 1.037 . . . . 0.0 110.109 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.06 -40.45 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.808 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -76.01 -12.68 60.18 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.817 1.644 . . . . 0.0 114.047 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.12 -41.55 15.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.607 1.094 . . . . 0.0 112.216 169.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.36 -56.15 4.54 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.139 0.427 . . . . 0.0 111.219 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.83 74.41 5.71 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.364 1.466 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 126.179 1.791 . . . . 0.0 110.329 174.504 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -54.82 -39.42 68.5 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.672 1.124 . . . . 0.0 112.658 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.08 69.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.626 1.17 . . . . 0.0 112.877 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.31 -37.43 28.39 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.742 1.217 . . . . 0.0 111.078 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.81 -43.94 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.877 0.871 . . . . 0.0 111.731 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.83 -27.29 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.664 1.12 . . . . 0.0 112.435 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -72.1 -40.23 68.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.079 0.854 . . . . 0.0 111.951 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.65 -39.73 94.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.279 0.632 . . . . 0.0 111.435 174.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.54 -41.47 80.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.852 0.861 . . . . 0.0 110.583 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 -28.56 69.98 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -77.4 -25.84 51.18 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.624 1.102 . . . . 0.0 112.92 173.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -80.59 -39.87 26.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.868 1.667 . . . . 0.0 111.69 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.36 -7.26 29.69 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.257 2.223 . . . . 0.0 113.336 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -53.83 -21.94 8.61 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 169.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -61.81 -43.99 97.74 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -166.36 149.33 7.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.857 1.663 . . . . 0.0 111.561 -171.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -55.02 -24.97 27.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.9 2.08 . . . . 0.0 116.112 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -120.36 -19.53 7.58 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -170.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -160.74 155.86 24.45 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.434 1.015 . . . . 0.0 113.119 -169.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 65.1 t -99.75 119.8 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.701 2.0 . . . . 0.0 109.022 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.436 HD21 ' CD2' ' B' ' 27' ' ' HIS . 28.0 t-20 -81.26 149.21 29.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -49.34 -44.89 44.89 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.986 1.714 . . . . 0.0 114.378 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.83 -35.29 78.34 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.41 -38.31 77.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.941 0.496 . . . . 0.0 111.455 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.16 -43.69 95.58 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.306 -0.871 . . . . 0.0 111.894 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.47 -47.79 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.225 -0.922 . . . . 0.0 111.03 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -59.69 -44.16 93.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.438 1.095 . . . . 0.0 111.551 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -65.93 -40.22 91.2 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.836 1.255 . . . . 0.0 111.746 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.14 -26.54 68.58 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 112.178 171.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.56 94.57 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-N 118.939 0.79 . . . . 0.0 112.092 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.36 87.45 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.051 0.925 . . . . 0.0 111.815 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -57.19 -46.97 82.37 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.602 1.161 . . . . 0.0 110.712 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.95 89.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.555 1.542 . . . . 0.0 111.874 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -69.48 -29.66 67.36 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.34 -0.85 . . . . 0.0 113.175 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.31 -25.74 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.883 1.273 . . . . 0.0 113.729 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -56.24 -38.64 71.36 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.301 0.955 . . . . 0.0 110.677 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.05 -46.43 0.28 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.849 3.259 . . . . 0.0 116.272 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -58.71 -37.7 76.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.933 1.293 . . . . 0.0 111.047 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.55 -19.18 64.58 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.03 6.71 41.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.304 1.842 . . . . 0.0 112.539 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt . . . . . 0 N--CA 1.477 0.875 0 C-N-CA 125.208 1.403 . . . . 0.0 113.201 176.413 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.185 0 N-CA-C 115.599 1.0 . . . . 0.0 115.599 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.23 -65.75 0.51 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.389 1.875 . . . . 0.0 111.453 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -28.53 13.49 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.242 1.817 . . . . 0.0 114.106 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -74.64 -14.43 60.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.61 -35.92 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.85 1.26 . . . . 0.0 109.328 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.37 -36.43 79.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.775 2.03 . . . . 0.0 111.624 172.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -52.22 -39.42 60.2 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.375 1.07 . . . . 0.0 111.771 173.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -58.02 -24.99 60.53 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -84.3 -36.62 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.998 1.319 . . . . 0.0 111.753 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -67.35 -35.95 80.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.103 -0.998 . . . . 0.0 111.232 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.0 -1.15 11.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 113.998 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -106.6 -32.3 8.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.719 1.208 . . . . 0.0 113.732 173.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -157.89 149.24 19.58 Favored Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.908 1.123 . . . . 0.0 115.908 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.99 103.81 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 129.067 2.947 . . . . 0.0 108.179 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -149.32 -47.13 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -89.17 -32.78 17.3 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.421 1.01 . . . . 0.0 112.887 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.5 ttm -51.1 -54.82 21.49 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.152 0.581 . . . . 0.0 110.79 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -58.94 -27.24 65.13 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.65 -42.3 51.74 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.101 0.864 . . . . 0.0 111.283 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 17.9 m -65.35 -38.1 89.07 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.198 0.999 . . . . 0.0 112.568 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 18.1 mm -59.27 -45.76 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.331 0.968 . . . . 0.0 110.947 173.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -61.89 -45.87 91.84 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.073 -0.392 . . . . 0.0 111.709 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.44 -44.39 89.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.096 0.862 . . . . 0.0 112.83 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.72 -34.41 78.26 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 . . . . . 0 CA--C 1.54 0.577 0 CA-C-N 118.164 0.438 . . . . 0.0 112.079 178.092 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 N-CA-C 115.447 0.939 . . . . 0.0 115.447 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -67.24 0.46 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.144 1.472 . . . . 0.0 111.246 -173.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -25.64 20.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.681 1.193 . . . . 0.0 113.57 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -65.72 -19.38 65.88 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 90.9 t -99.26 -36.86 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.043 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.43 -31.32 57.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.887 1.675 . . . . 0.0 111.87 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -63.49 -26.03 68.53 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.686 -1.259 . . . . 0.0 113.036 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -56.75 -30.87 64.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.576 1.151 . . . . 0.0 111.953 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 54.1 mt -87.11 -42.66 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.082 1.753 . . . . 0.0 110.161 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.89 -38.23 72.51 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.31 -0.869 . . . . 0.0 112.907 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -73.7 -3.11 26.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.151 1.38 . . . . 0.0 114.053 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -104.94 -42.58 5.3 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.609 1.564 . . . . 0.0 110.822 169.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.82 -166.27 54.84 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.761 1.648 . . . . 0.0 115.718 169.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.23 147.46 20.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.896 1.678 . . . . 0.0 111.577 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.59 -33.32 25.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.79 -21.38 20.71 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 49.2 tpp -45.53 -60.86 1.95 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.56 1.544 . . . . 0.0 110.824 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -60.79 -34.41 74.46 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.783 1.233 . . . . 0.0 112.823 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -74.06 -45.29 50.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.51 0.724 . . . . 0.0 111.737 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.6 m -72.38 -35.26 68.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.73 0.812 . . . . 0.0 112.581 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.5 mt -58.13 -44.27 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.439 0.696 . . . . 0.0 110.531 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.49 -47.64 72.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.452 0.701 . . . . 0.0 112.138 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.761 -1.212 . . . . 0.0 112.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.63 -31.35 71.44 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.5 t90 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 123.955 0.902 . . . . 0.0 110.983 172.683 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -55.65 -36.87 50.67 Favored Pre-proline 0 CA--C 1.552 1.03 0 O-C-N 119.868 -1.77 . . . . 0.0 114.42 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -70.38 -32.41 16.04 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.246 2.63 . . . . 0.0 113.204 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.2 -42.81 59.21 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -54.22 -43.64 70.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.396 1.479 . . . . 0.0 112.067 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.88 -16.57 60.03 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -50.41 9.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.558 1.072 . . . . 0.0 112.546 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 pt -61.85 -32.86 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.371 0.987 . . . . 0.0 111.083 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.53 76.21 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.861 1.22 . . . . 0.0 114.078 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -48.76 51.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.158 1.479 . . . . 0.0 110.045 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.36 -40.63 91.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.533 0.733 . . . . 0.0 111.241 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -68.04 -43.49 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.178 0.899 . . . . 0.0 110.907 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.42 -35.04 91.46 Favored Glycine 0 N--CA 1.468 0.776 0 C-N-CA 124.392 0.996 . . . . 0.0 113.15 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.13 -52.07 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.462 1.105 . . . . 0.0 110.835 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.58 -45.27 87.71 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -69.42 -22.96 63.64 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -53.95 -45.94 71.45 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.168 -0.958 . . . . 0.0 110.967 169.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.7 -31.76 28.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.734 1.613 . . . . 0.0 114.112 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -79.35 -42.4 25.71 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.98 -1.075 . . . . 0.0 111.92 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.78 -14.46 58.3 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.92 1.248 . . . . 0.0 114.14 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 124.923 1.289 . . . . 0.0 111.495 169.632 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CE1' HD21 ' A' ' 69' ' ' ASN . 3.0 p-80 -76.05 55.66 0.94 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.066 1.747 . . . . 0.0 113.526 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 t -146.52 154.44 41.55 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.4 1.48 . . . . 0.0 111.983 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.2 mt -123.18 147.91 46.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.27 1.828 . . . . 0.0 110.205 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 p -79.35 165.38 23.19 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 109.187 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -56.26 -41.57 76.03 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.38 -1.45 . . . . 0.0 112.617 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.74 -36.69 73.28 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.137 -0.977 . . . . 0.0 112.467 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.83 -35.17 76.65 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.876 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.37 -44.78 96.58 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.63 0.772 . . . . 0.0 110.485 169.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.04 -37.98 81.4 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.008 -1.058 . . . . 0.0 111.86 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.52 -42.95 99.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.941 0.896 . . . . 0.0 112.099 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.69 -55.03 40.14 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.126 0.97 . . . . 0.0 111.082 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.31 -43.92 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.031 0.832 . . . . 0.0 111.934 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -67.26 -26.57 66.63 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.79 -55.78 3.56 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.84 -15.1 35.35 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.094 1.758 . . . . 0.0 115.0 -168.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.91 46.98 2.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.063 1.345 . . . . 0.0 110.075 -175.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 125.813 1.645 . . . . 0.0 111.693 -177.229 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 119.168 -0.444 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.19 -41.26 60.11 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.955 1.252 . . . . 0.0 114.178 -169.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.87 69.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.949 0.899 . . . . 0.0 113.39 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -81.54 -33.83 31.5 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.434 1.094 . . . . 0.0 111.671 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.39 -41.74 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.306 -0.871 . . . . 0.0 111.034 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.71 -25.05 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.074 1.307 . . . . 0.0 112.896 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -76.87 -36.53 56.7 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.105 -0.997 . . . . 0.0 112.52 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.05 -41.27 95.33 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.548 1.139 . . . . 0.0 111.441 170.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 ttp -58.6 -43.59 89.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.651 1.181 . . . . 0.0 110.933 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.56 -35.07 79.8 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.081 0.952 . . . . 0.0 113.02 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.81 -24.07 60.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.52 -46.92 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.334 1.454 . . . . 0.0 110.572 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.01 -17.32 63.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.021 2.128 . . . . 0.0 114.301 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.33 -14.73 3.12 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.395 1.078 . . . . 0.0 113.572 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.91 -35.37 45.25 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.697 1.599 . . . . 0.0 113.59 169.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -147.44 -22.74 0.38 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 79.37 18.68 0.77 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.859 2.463 . . . . 0.0 111.794 -170.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -158.1 -33.44 0.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.301 1.841 . . . . 0.0 112.522 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -142.29 155.1 45.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.005 1.322 . . . . 0.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -120.06 121.39 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.31 1.844 . . . . 0.0 110.453 170.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.512 HD21 ' CE1' ' A' ' 27' ' ' HIS . 26.9 t-20 -79.78 154.69 28.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.375 1.07 . . . . 0.0 112.175 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -47.52 -41.92 22.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.065 1.346 . . . . 0.0 114.606 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -59.61 -45.68 91.19 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.47 -0.769 . . . . 0.0 111.539 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -73.65 -29.73 62.51 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.283 0.633 . . . . 0.0 112.211 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -62.35 -46.5 88.41 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.283 -0.886 . . . . 0.0 111.95 171.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.64 -43.17 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.016 0.825 . . . . 0.0 110.826 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.0 m -60.12 -44.81 94.62 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.442 1.097 . . . . 0.0 111.188 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -62.83 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.089 0.956 . . . . 0.0 112.326 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.29 -25.64 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.021 0.828 . . . . 0.0 111.969 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.18 -42.3 84.13 Favored Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.05 0.833 . . . . 0.0 112.496 169.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.16 -33.55 75.66 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.315 0.646 . . . . 0.0 112.538 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -69.98 -40.53 75.31 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.121 0.968 . . . . 0.0 111.213 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.5 81.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.673 -0.642 . . . . 0.0 111.255 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.7 ttt -69.56 -37.07 76.86 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.974 0.91 . . . . 0.0 113.161 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -63.64 -30.68 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.05 1.295 . . . . 0.0 112.148 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -74.4 50.39 0.41 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.613 1.165 . . . . 0.0 111.51 169.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -49.42 -29.4 6.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.461 2.305 . . . . 0.0 115.282 -171.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -53.28 -36.92 61.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 113.011 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.64 -20.76 64.48 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.485 1.114 . . . . 0.0 113.546 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.11 1.95 50.6 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.677 1.991 . . . . 0.0 111.613 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -115.5 -47.5 2.82 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.72 1.608 . . . . 0.0 112.138 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.789 2.138 . . . . 0.0 111.683 178.892 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 119.159 -0.448 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.31 40.04 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 p -57.17 -32.72 14.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.79 -36.99 81.66 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.806 2.337 . . . . 0.0 113.389 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 30.4 tp -79.67 -39.5 31.22 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.405 0.548 . . . . 0.0 111.438 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.66 -43.91 76.74 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.238 1.015 . . . . 0.0 112.211 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -70.31 -22.68 62.8 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -47.46 13.99 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.431 1.014 . . . . 0.0 112.195 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -63.76 -32.97 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.391 0.996 . . . . 0.0 110.928 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.07 72.31 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 125.075 1.321 . . . . 0.0 113.705 170.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -52.98 48.05 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.908 1.354 . . . . 0.0 111.071 170.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.46 -39.58 84.12 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.447 0.699 . . . . 0.0 111.596 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.85 -48.9 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.729 0.695 . . . . 0.0 111.099 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.55 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.383 0.992 . . . . 0.0 113.434 -174.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.6 mt -72.14 -54.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 169.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.85 -43.13 99.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.824 0.738 . . . . 0.0 112.71 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.1 -18.0 60.86 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -59.92 -44.13 94.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.703 0.801 . . . . 0.0 110.877 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -80.6 -30.88 36.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.516 1.126 . . . . 0.0 113.155 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -70.73 -41.16 72.23 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.19 0.904 . . . . 0.0 112.774 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.11 -14.73 61.89 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 124.7 1.143 . . . . 0.0 113.977 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.89 -31.93 73.29 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.853 1.261 . . . . 0.0 112.008 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -93.67 -45.8 7.54 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.684 1.194 . . . . 0.0 110.627 170.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.08 -8.95 56.26 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.499 1.524 . . . . 0.0 116.181 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.62 -30.16 62.8 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.697 1.199 . . . . 0.0 113.613 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -171.79 169.89 5.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.838 2.055 . . . . 0.0 112.188 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 53.55 0.61 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.505 1.922 . . . . 0.0 113.314 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.16 148.54 52.48 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.43 1.492 . . . . 0.0 110.151 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.9 mt -112.67 145.15 40.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.634 1.573 . . . . 0.0 108.706 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -79.14 168.88 18.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.137 -0.977 . . . . 0.0 109.205 169.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -57.21 -38.39 73.65 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.403 -1.435 . . . . 0.0 111.809 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -75.29 -34.52 61.31 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -72.62 -33.54 66.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.86 1.209 . . . . 0.0 111.646 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.81 -48.07 82.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.508 0.723 . . . . 0.0 109.97 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' B' ' 38' ' ' ILE . 43.5 mtpt -56.9 -26.74 59.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 117.808 -1.091 . . . . 0.0 113.45 171.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.62 -47.38 69.78 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.995 1.725 . . . . 0.0 110.595 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.76 -58.34 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.258 1.023 . . . . 0.0 111.461 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.437 HG12 ' HA ' ' B' ' 35' ' ' LYS . 39.2 pt -72.73 -19.77 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -171.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -79.84 -29.48 40.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 120.852 1.66 . . . . 0.0 112.258 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -86.06 -47.24 9.73 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.598 1.09 . . . . 0.0 113.671 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -55.92 4.05 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.376 0.671 . . . . 0.0 110.529 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 72.7 mt -89.85 39.39 0.96 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.296 0.953 . . . . 0.0 111.051 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 126.131 1.773 . . . . 0.0 112.985 -169.701 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.38 -31.57 63.96 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.126 1.37 . . . . 0.0 113.205 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.89 69.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.941 0.896 . . . . 0.0 113.092 174.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -81.67 -38.68 25.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.116 0.966 . . . . 0.0 111.064 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mm -60.72 -43.93 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.961 0.904 . . . . 0.0 111.56 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.68 -29.86 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.96 -37.06 55.97 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.279 -0.888 . . . . 0.0 111.95 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.4 HD22 HD12 ' B' ' 38' ' ' ILE . 8.7 tt -62.17 -43.74 98.16 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.204 0.911 . . . . 0.0 111.895 170.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 33.5 ttp -56.67 -44.9 81.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.02 1.328 . . . . 0.0 111.975 172.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.54 -37.02 73.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.744 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -65.96 -32.0 73.23 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.966 1.307 . . . . 0.0 112.358 173.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -67.58 -48.24 67.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.552 1.541 . . . . 0.0 110.804 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.2 -25.37 67.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 114.141 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -54.22 -27.61 35.6 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.961 1.255 . . . . 0.0 113.627 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -80.6 -14.53 58.12 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.864 0.866 . . . . 0.0 113.288 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -132.05 -142.98 0.22 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.488 2.315 . . . . 0.0 109.147 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.83 101.93 1.65 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.229 1.411 . . . . 0.0 111.172 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 75.38 12.04 3.29 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.965 2.506 . . . . 0.0 112.611 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.59 157.84 30.55 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.401 1.88 . . . . 0.0 109.903 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.0 t -119.76 102.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.2 1.8 . . . . 0.0 107.734 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -85.3 156.49 20.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.789 0.836 . . . . 0.0 112.177 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -55.19 -41.91 72.56 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -169.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.06 -44.74 96.03 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.78 -0.575 . . . . 0.0 110.584 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -73.76 -30.88 63.04 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.076 0.951 . . . . 0.0 112.235 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.65 -47.41 84.53 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.556 0.742 . . . . 0.0 111.394 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 mt -72.16 -34.54 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 O-C-N 121.172 -0.955 . . . . 0.0 112.125 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 63.5 m -55.46 -44.93 76.89 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.994 0.816 . . . . 0.0 110.873 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.32 -36.46 79.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.895 0.878 . . . . 0.0 113.072 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.17 -19.82 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.328 0.967 . . . . 0.0 112.479 171.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.72 86.42 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 119.494 1.043 . . . . 0.0 111.731 169.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.63 75.56 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.356 1.078 . . . . 0.0 112.531 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.01 -43.63 87.12 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.619 0.768 . . . . 0.0 110.761 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -34.42 75.61 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.624 1.17 . . . . 0.0 112.428 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.5 mtp -68.35 -19.11 64.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -70.81 -28.97 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.856 1.207 . . . . 0.0 111.843 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -78.33 46.03 0.6 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.066 1.346 . . . . 0.0 109.636 168.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.24 -28.4 27.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -168.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -58.97 -34.34 71.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.154 -0.966 . . . . 0.0 112.512 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.25 -15.16 62.88 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.984 1.314 . . . . 0.0 113.624 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.4 mt -102.95 -17.16 15.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.391 1.476 . . . . 0.0 112.929 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 124.816 1.247 . . . . 0.0 112.198 173.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.143 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.1 -43.57 66.94 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.713 1.605 . . . . 0.0 113.492 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -54.55 -29.09 49.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.171 1.388 . . . . 0.0 113.749 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -68.54 -22.28 64.51 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.3 t -95.85 -40.43 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.581 1.552 . . . . 0.0 108.742 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -57.88 -45.35 86.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.833 1.253 . . . . 0.0 110.28 169.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.89 -38.42 82.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.357 0.663 . . . . 0.0 112.371 174.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -66.54 -12.66 58.74 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 36.1 mm -96.22 -47.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.249 0.931 . . . . 0.0 110.085 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.24 -46.8 35.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.162 1.385 . . . . 0.0 113.842 174.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.66 -1.72 17.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -172.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.95 -20.99 60.19 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.067 0.947 . . . . 0.0 112.911 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 155.23 15.43 0.05 OUTLIER Glycine 0 CA--C 1.535 1.331 0 N-CA-C 118.124 2.01 . . . . 0.0 118.124 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -74.6 130.4 39.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.632 2.216 . . . . 0.0 111.557 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -167.53 -26.01 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.069 1.347 . . . . 0.0 113.916 -169.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.87 -18.24 21.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.805 1.642 . . . . 0.0 114.946 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 58.9 tpp -42.83 -42.86 3.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.302 2.241 . . . . 0.0 113.143 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -50.02 -36.36 28.4 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.578 1.551 . . . . 0.0 113.87 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.95 -41.84 58.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.011 0.924 . . . . 0.0 112.029 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 88.7 m -66.75 -44.5 81.33 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.045 0.938 . . . . 0.0 110.735 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.69 -50.18 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.836 0.855 . . . . 0.0 111.056 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -53.05 -43.44 66.66 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.719 0.69 . . . . 0.0 112.3 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -25.61 68.39 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -89.12 -34.33 16.76 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.486 -0.759 . . . . 0.0 112.49 170.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 42.3 m0 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -170.353 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.188 0 N-CA-C 116.357 1.303 . . . . 0.0 116.357 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.57 -40.61 83.61 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.332 1.566 . . . . 0.0 113.134 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.59 -23.98 44.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.353 1.461 . . . . 0.0 113.429 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -74.23 -17.56 60.87 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 119.632 1.106 . . . . 0.0 113.941 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.07 -39.37 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.229 1.412 . . . . 0.0 109.637 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.65 -34.23 77.8 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.048 1.339 . . . . 0.0 111.477 170.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.17 -29.64 63.83 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.501 1.12 . . . . 0.0 112.508 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -63.83 -24.25 67.68 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.732 -1.23 . . . . 0.0 113.121 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 40.1 mm -86.22 -37.61 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.901 1.28 . . . . 0.0 111.247 174.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.35 -44.42 88.78 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.151 -0.968 . . . . 0.0 112.076 169.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -78.74 -1.08 32.88 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.807 1.643 . . . . 0.0 113.787 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.93 -18.76 53.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.939 0.896 . . . . 0.0 112.323 171.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.23 144.43 7.1 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.263 1.411 . . . . 0.0 113.628 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -159.48 154.14 24.38 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.655 1.582 . . . . 0.0 112.527 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.55 -7.3 3.26 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.739 1.616 . . . . 0.0 113.298 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -71.14 -38.39 72.24 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.662 1.119 . . . . 0.0 113.217 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.0 mmt -55.01 -47.08 75.17 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.222 0.919 . . . . 0.0 111.073 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -58.36 -22.99 55.56 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.983 -1.073 . . . . 0.0 113.529 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -99.62 -27.74 13.53 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.044 1.338 . . . . 0.0 113.335 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 35.5 p -87.9 -40.72 13.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.143 1.338 . . . . 0.0 112.733 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 26.5 mm -57.99 -40.91 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.552 1.141 . . . . 0.0 111.819 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -57.57 -50.75 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.383 0.673 . . . . 0.0 111.811 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.64 -49.47 66.1 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.197 0.599 . . . . 0.0 111.762 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -52.65 -42.18 64.46 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.395 1.078 . . . . 0.0 112.505 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 91.0 t90 . . . . . 0 CA--C 1.537 0.449 0 CA-C-N 118.163 0.438 . . . . 0.0 111.724 179.797 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -55.78 -41.2 89.67 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.54 -35.85 88.45 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.324 2.683 . . . . 0.0 113.817 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.5 tp -75.84 -40.74 54.2 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.841 0.746 . . . . 0.0 110.67 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -57.08 -41.48 78.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.541 1.137 . . . . 0.0 111.925 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -72.04 -20.81 61.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -46.47 14.21 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.192 1.36 . . . . 0.0 112.632 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 pt -66.63 -31.29 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.09 -1.006 . . . . 0.0 111.293 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -27.84 73.04 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.196 0.903 . . . . 0.0 112.663 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -68.17 -52.55 33.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.916 1.286 . . . . 0.0 110.122 174.241 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.61 -38.93 75.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.593 1.957 . . . . 0.0 112.042 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.43 -51.49 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 118.862 0.755 . . . . 0.0 110.787 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -31.92 77.25 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.993 0.806 . . . . 0.0 113.886 -173.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 11' ' ' LEU . 1.3 mp -69.42 -38.66 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 118.022 -0.989 . . . . 0.0 111.492 173.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -79.97 -52.52 7.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.023 1.283 . . . . 0.0 112.36 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -69.41 -23.19 63.68 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -58.33 -44.48 88.68 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.299 -0.876 . . . . 0.0 112.039 170.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -81.96 -26.98 33.5 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -67.87 -41.5 82.72 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.612 -1.305 . . . . 0.0 110.802 170.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.49 -26.79 71.99 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.997 0.808 . . . . 0.0 113.323 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt . . . . . 0 CA--C 1.545 0.786 0 CA-C-N 118.591 1.196 . . . . 0.0 112.691 172.001 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -113.0 20.28 16.5 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.157 1.383 . . . . 0.0 114.136 -169.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -130.24 151.36 50.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.551 1.941 . . . . 0.0 110.593 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -112.35 148.2 34.76 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.395 1.878 . . . . 0.0 108.997 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -78.33 153.59 31.58 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.049 -1.032 . . . . 0.0 108.726 168.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -53.92 -37.06 63.41 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.324 -1.485 . . . . 0.0 113.227 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -31.62 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.222 -0.924 . . . . 0.0 113.352 173.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -76.44 -30.46 57.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.594 0.758 . . . . 0.0 111.898 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.37 -44.71 96.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -60.75 -39.93 90.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.906 -1.121 . . . . 0.0 112.37 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.54 -47.8 84.13 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.526 -0.75 . . . . 0.0 111.546 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.12 -47.41 71.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.527 1.058 . . . . 0.0 111.198 174.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.98 -52.97 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.02 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.62 -23.98 58.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.099 1.318 . . . . 0.0 113.234 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.5 -41.13 15.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.575 1.08 . . . . 0.0 112.961 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.83 -52.72 5.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.129 0.877 . . . . 0.0 111.707 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.34 -48.69 8.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.246 0.618 . . . . 0.0 110.366 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 127.844 2.458 . . . . 0.0 111.857 169.533 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.06 -29.77 67.56 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.965 1.711 . . . . 0.0 112.243 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.6 -25.85 66.81 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.499 1.12 . . . . 0.0 113.219 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -81.65 -35.97 29.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 110.396 171.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.8 mm -62.14 -41.95 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.062 -0.971 . . . . 0.0 111.797 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.62 -26.42 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.382 1.446 . . . . 0.0 112.848 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -75.82 -37.49 59.04 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.514 1.052 . . . . 0.0 112.125 170.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.33 -38.01 89.47 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.217 -0.927 . . . . 0.0 111.732 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttp -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.602 1.161 . . . . 0.0 110.713 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.16 -39.61 93.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.778 0.831 . . . . 0.0 112.767 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -69.2 -23.91 63.97 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.22 -44.66 19.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.246 1.418 . . . . 0.0 111.716 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.25 -35.51 73.85 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.056 1.742 . . . . 0.0 114.084 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -71.77 -6.04 38.56 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -74.21 -15.11 61.01 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.367 1.067 . . . . 0.0 112.937 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -128.09 -95.25 0.42 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.16 1.784 . . . . 0.0 111.368 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -168.86 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.832 1.653 . . . . 0.0 113.178 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.6 16.54 1.13 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.896 1.278 . . . . 0.0 111.83 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -143.59 159.0 43.24 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.185 1.794 . . . . 0.0 111.193 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.11 114.05 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 108.737 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -83.76 151.03 25.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.82 1.248 . . . . 0.0 112.31 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.98 -45.13 79.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -73.12 -34.89 66.4 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.289 -0.882 . . . . 0.0 111.286 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.24 -37.83 78.17 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.826 0.85 . . . . 0.0 111.413 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.21 -47.92 83.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.531 1.532 . . . . 0.0 111.169 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.2 mt -67.98 -37.37 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.181 -0.949 . . . . 0.0 112.141 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 m -59.05 -44.26 91.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.177 0.899 . . . . 0.0 111.084 172.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.68 -37.8 87.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.821 0.848 . . . . 0.0 112.559 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.06 -29.72 70.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.819 1.19 . . . . 0.0 111.949 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.68 93.91 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.148 0.88 . . . . 0.0 112.384 169.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.41 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.071 0.935 . . . . 0.0 111.86 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 tp -51.78 -46.96 64.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.969 1.707 . . . . 0.0 110.608 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.96 79.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.05 1.34 . . . . 0.0 112.797 177.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -73.99 -23.06 59.4 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.298 1.408 . . . . 0.0 114.622 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.25 -30.57 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.516 0.726 . . . . 0.0 110.508 170.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -75.88 46.09 0.37 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 111.131 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.82 -29.17 4.29 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 118.42 2.748 . . . . 0.0 118.42 -168.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.15 -35.02 72.77 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.621 1.1 . . . . 0.0 112.082 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.89 89.01 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.207 1.403 . . . . 0.0 112.682 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.65 -41.93 52.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.974 1.31 . . . . 0.0 110.91 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.49 -37.0 86.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.523 1.129 . . . . 0.0 112.927 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 C-N-CA 125.942 1.734 . . . . 0.0 113.149 176.422 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.59 57.25 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -49.3 -32.53 4.8 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -172.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -69.26 -38.46 8.85 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.05 2.5 . . . . 0.0 113.943 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 tp -81.48 -37.07 28.53 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.736 1.153 . . . . 0.0 111.56 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.85 -40.79 76.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.972 1.709 . . . . 0.0 112.29 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.04 -35.87 81.7 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 172.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.48 64.31 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.633 1.106 . . . . 0.0 112.853 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 pt -68.35 -24.17 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.975 -0.453 . . . . 0.0 111.589 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.46 -39.22 61.6 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.596 1.094 . . . . 0.0 113.177 170.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -51.84 65.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.05 1.34 . . . . 0.0 111.187 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 mt -53.31 -43.79 67.85 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.021 1.728 . . . . 0.0 112.761 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.82 -45.28 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.954 0.901 . . . . 0.0 111.019 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.54 -27.78 73.06 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 124.85 1.214 . . . . 0.0 113.847 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.2 mt -75.3 -49.49 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 118.597 1.199 . . . . 0.0 111.23 170.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -64.59 -52.61 56.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.304 0.957 . . . . 0.0 112.204 -174.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -75.27 -11.98 60.18 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -172.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.61 -42.51 88.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.575 0.75 . . . . 0.0 111.019 169.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -81.53 -28.8 33.79 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.766 1.227 . . . . 0.0 113.26 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -66.48 -44.75 81.8 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.977 -1.077 . . . . 0.0 111.237 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 -3.93 38.16 Favored Glycine 0 N--CA 1.473 1.146 0 C-N-CA 125.46 1.505 . . . . 0.0 114.852 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.19 -30.55 70.48 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.442 1.097 . . . . 0.0 111.787 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.09 -4.08 3.94 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.7 23.56 27.97 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.76 1.172 . . . . 0.0 113.717 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -69.76 168.46 14.98 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.21 1.404 . . . . 0.0 111.987 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -101.69 -141.16 0.35 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.431 1.092 . . . . 0.0 112.727 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -78.43 14.48 1.23 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.892 1.677 . . . . 0.0 115.135 -170.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -128.22 149.76 50.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.08 2.152 . . . . 0.0 110.948 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -120.43 137.53 54.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.822 1.249 . . . . 0.0 110.266 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.2 p -78.09 155.33 30.62 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.513 -0.742 . . . . 0.0 110.172 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -57.59 -33.81 68.58 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.635 -1.29 . . . . 0.0 114.185 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.93 -28.66 39.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.9 -37.21 70.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 110.667 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.74 -43.83 98.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.656 1.182 . . . . 0.0 109.684 169.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -57.77 -44.73 86.39 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.811 -1.181 . . . . 0.0 111.807 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.13 -46.96 87.0 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.834 -1.079 . . . . 0.0 111.398 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.34 -49.12 73.04 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.872 1.214 . . . . 0.0 111.247 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -66.77 -44.09 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 119.035 0.834 . . . . 0.0 111.443 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -68.03 -37.82 81.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.873 1.215 . . . . 0.0 113.061 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -86.06 -41.28 14.93 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -87.24 -50.63 6.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.265 0.939 . . . . 0.0 111.571 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 mt -95.94 66.96 2.65 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.993 0.901 . . . . 0.0 108.799 -172.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.48 1.049 0 C-N-CA 129.745 3.218 . . . . 0.0 115.784 -169.582 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.01 -30.1 71.2 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.639 -1.288 . . . . 0.0 113.134 -170.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.2 -32.14 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.473 1.109 . . . . 0.0 112.739 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -81.03 -31.81 34.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.3 0.64 . . . . 0.0 111.124 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.7 mm -65.08 -42.37 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.911 1.232 . . . . 0.0 111.224 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.23 -22.34 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.25 1.386 . . . . 0.0 112.911 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -77.16 -37.57 53.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.102 0.865 . . . . 0.0 111.377 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.68 -33.47 75.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.724 0.81 . . . . 0.0 111.371 172.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 65.6 mtp -60.14 -40.29 89.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.931 0.787 . . . . 0.0 111.381 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.67 -30.6 71.32 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.209 1.004 . . . . 0.0 112.62 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -77.3 -23.79 51.03 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.34 -41.88 23.96 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.155 1.382 . . . . 0.0 111.707 170.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.91 -13.39 56.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.691 1.996 . . . . 0.0 112.942 173.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -53.54 -31.72 47.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.563 1.945 . . . . 0.0 112.809 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -79.64 -56.63 4.16 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.445 1.098 . . . . 0.0 111.905 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -143.31 124.9 14.87 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.907 1.683 . . . . 0.0 110.656 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -81.3 -37.68 28.0 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -169.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.47 -38.68 62.86 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.132 0.573 . . . . 0.0 111.947 -174.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.08 139.36 13.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.097 1.359 . . . . 0.0 110.165 172.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.6 t -93.85 121.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.871 1.269 . . . . 0.0 108.224 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -80.53 148.01 30.58 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.567 0.747 . . . . 0.0 112.033 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.43 -40.6 62.38 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -172.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.67 -46.56 89.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.518 0.599 . . . . 0.0 110.689 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -29.52 62.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.66 0.784 . . . . 0.0 111.926 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.35 -38.33 86.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.95 0.9 . . . . 0.0 109.797 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 51.5 mt -72.57 -35.23 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 118.033 -0.984 . . . . 0.0 112.491 172.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -56.87 -43.75 81.54 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.782 1.628 . . . . 0.0 111.156 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -64.6 -39.45 93.74 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 112.245 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.84 -24.11 66.82 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.039 -1.038 . . . . 0.0 112.405 172.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.25 -39.26 82.32 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.667 1.127 . . . . 0.0 112.091 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.088 0.944 . . . . 0.0 111.919 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.53 -43.01 93.59 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.013 0.925 . . . . 0.0 110.695 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.21 77.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.46 1.104 . . . . 0.0 113.358 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 99.0 mtp -68.18 -32.59 72.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.356 0.98 . . . . 0.0 112.896 170.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.34 -33.04 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.775 0.716 . . . . 0.0 111.296 170.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -71.73 43.21 0.09 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.535 1.534 . . . . 0.0 112.891 169.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -52.32 -27.53 15.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.446 3.099 . . . . 0.0 116.309 -170.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -62.82 -36.92 84.77 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.961 1.255 . . . . 0.0 112.244 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.06 -15.32 62.98 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.28 -0.887 . . . . 0.0 113.0 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.09 8.24 38.76 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.954 2.102 . . . . 0.0 111.807 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 92.3 mttt . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.831 1.652 . . . . 0.0 111.136 171.08 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.259 0 N-CA-C 113.974 0.35 . . . . 0.0 113.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 36.1 tp -46.6 -63.75 0.93 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.344 2.257 . . . . 0.0 112.083 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -50.66 -31.75 17.14 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.986 1.714 . . . . 0.0 114.342 -177.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.0 -20.72 62.38 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 -37.63 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.812 1.245 . . . . 0.0 108.558 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.79 -26.94 64.51 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.229 1.811 . . . . 0.0 112.141 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -55.45 -29.15 58.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.436 1.095 . . . . 0.0 112.869 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.52 -17.4 64.65 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.228 -0.92 . . . . 0.0 113.207 176.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 20.8 mt -96.21 -42.55 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.359 1.464 . . . . 0.0 110.85 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -46.18 -45.32 16.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.039 1.336 . . . . 0.0 113.611 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.27 -12.2 54.96 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -111.16 -1.81 16.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.001 2.12 . . . . 0.0 114.337 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.1 134.65 34.26 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.251 0.929 . . . . 0.0 112.636 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.16 152.63 38.44 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.11 -22.65 61.17 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.295 1.838 . . . . 0.0 114.152 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.08 -19.89 55.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.513 1.051 . . . . 0.0 113.429 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 37.1 mtt -55.83 -47.83 76.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.96 1.254 . . . . 0.0 111.733 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -58.81 -38.65 79.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.808 0.843 . . . . 0.0 111.685 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -72.66 -33.93 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.191 0.996 . . . . 0.0 111.55 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 89.9 m -70.17 -48.5 57.01 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.401 1.88 . . . . 0.0 111.203 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.63 -44.99 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.198 0.599 . . . . 0.0 110.453 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.24 -54.42 47.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.183 0.593 . . . . 0.0 112.518 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -68.97 -18.13 64.03 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.43 29.18 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.249 0.932 . . . . 0.0 112.021 169.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 38.5 t90 . . . . . 0 N--CA 1.468 0.425 0 C-N-CA 126.513 1.925 . . . . 0.0 112.701 -177.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.085 0 N-CA-C 113.468 0.147 . . . . 0.0 113.468 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -38.36 67.58 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.019 0.927 . . . . 0.0 113.315 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -56.81 -25.26 55.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.815 1.246 . . . . 0.0 113.802 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -72.38 -18.08 61.77 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 173.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.79 -37.96 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.037 1.335 . . . . 0.0 108.798 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.73 -33.71 76.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.012 1.325 . . . . 0.0 111.202 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -51.99 -36.26 49.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.119 1.367 . . . . 0.0 112.305 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 198' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' D' ' 198' ' ' LYS . 11.0 mmpt? -69.0 -12.83 62.04 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.114 -1.616 . . . . 0.0 114.039 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.1 mt -95.29 -35.73 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.183 1.393 . . . . 0.0 110.219 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.47 -40.33 86.59 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.292 1.037 . . . . 0.0 111.265 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -85.08 -0.48 54.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.683 1.593 . . . . 0.0 113.641 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -96.66 -47.23 5.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.506 1.523 . . . . 0.0 108.969 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 76.74 168.28 28.18 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 118.654 2.222 . . . . 0.0 118.654 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -161.8 159.05 26.55 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.604 3.162 . . . . 0.0 108.231 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -112.57 -16.32 12.87 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.087 2.254 . . . . 0.0 117.087 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.77 -32.52 73.17 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.377 1.444 . . . . 0.0 113.162 -177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 11.0 ttm -50.1 -48.72 53.18 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.972 1.309 . . . . 0.0 109.929 168.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -78.77 -26.13 44.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.619 . . . . 0.0 111.417 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -75.12 -32.47 61.38 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.226 0.921 . . . . 0.0 111.592 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 60.4 m -69.86 -49.02 56.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.915 1.286 . . . . 0.0 110.92 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.1 -48.21 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.705 0.802 . . . . 0.0 110.767 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -53.09 -62.24 1.78 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.98 0.912 . . . . 0.0 111.817 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.76 -30.02 71.13 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.65 -1.281 . . . . 0.0 113.619 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.24 -26.94 47.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.8 t90 . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 124.246 1.018 . . . . 0.0 113.142 -178.884 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.045 0.45 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 p -59.54 -29.5 5.96 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.61 -45.94 15.95 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.56 2.174 . . . . 0.0 113.375 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.87 -38.6 57.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.889 0.768 . . . . 0.0 111.475 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.19 -46.82 82.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.895 1.278 . . . . 0.0 111.936 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -70.39 -20.52 62.93 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.14 -47.78 13.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.359 0.982 . . . . 0.0 112.666 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -62.92 -33.94 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.235 -0.916 . . . . 0.0 110.943 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.58 75.37 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.816 -0.991 . . . . 0.0 113.434 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.82 65.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.995 1.397 . . . . 0.0 110.036 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.22 -37.79 84.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.048 0.939 . . . . 0.0 112.14 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.99 -48.28 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 119.699 1.136 . . . . 0.0 110.823 173.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.34 86.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.87 0.748 . . . . 0.0 112.946 -175.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 mt -64.45 -37.73 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.131 0.965 . . . . 0.0 112.115 171.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -77.99 -59.65 2.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.897 0.771 . . . . 0.0 112.629 -175.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -68.13 -22.5 64.87 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HE3' ' CE2' ' A' ' 19' ' ' TYR . 60.8 pttt -62.37 -30.77 71.42 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.268 -0.895 . . . . 0.0 112.641 173.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CE2' ' HE3' ' A' ' 18' ' ' LYS . 84.7 m-85 -82.01 -40.81 21.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.236 -0.887 . . . . 0.0 112.373 169.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -62.53 -13.31 29.31 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.12 -0.19 61.84 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.434 1.016 . . . . 0.0 114.817 172.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 N--CA 1.472 0.65 0 CA-C-N 118.982 1.391 . . . . 0.0 112.44 -176.369 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.7 mttm . . . . . 0 CA--C 1.55 0.968 0 CA-C-O 121.837 0.827 . . . . 0.0 113.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -75.34 37.47 0.13 Allowed 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 126.567 1.947 . . . . 0.0 114.107 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -141.81 131.26 23.78 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.639 1.975 . . . . 0.0 109.013 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.88 137.4 32.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.164 1.386 . . . . 0.0 111.333 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -78.88 154.42 29.76 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.515 -0.74 . . . . 0.0 109.14 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -56.4 -38.16 71.14 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 119.711 -1.868 . . . . 0.0 114.292 -173.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -68.23 -37.02 80.39 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.652 1.181 . . . . 0.0 112.53 173.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -67.49 -40.34 85.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 110.558 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.0 tm? -63.51 -44.5 94.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.453 1.501 . . . . 0.0 110.717 169.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.0 -39.93 87.47 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.607 -1.308 . . . . 0.0 112.031 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.29 -45.18 94.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.06 172.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -51.49 -53.25 39.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.378 0.99 . . . . 0.0 111.053 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.65 -47.46 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.903 0.774 . . . . 0.0 111.558 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.88 -32.65 74.06 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -83.16 -42.99 16.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -85.99 -43.73 12.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.962 0.801 . . . . 0.0 112.069 -172.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -107.06 63.12 0.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.104 1.361 . . . . 0.0 109.099 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 126.712 2.005 . . . . 0.0 114.045 -169.646 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 CA--C 1.546 0.806 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.86 -25.36 63.23 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.015 -1.678 . . . . 0.0 113.366 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.84 71.1 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 113.188 169.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.59 -33.5 31.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.834 0.854 . . . . 0.0 110.681 170.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.03 -39.33 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.023 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.05 -26.11 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-N 120.395 1.452 . . . . 0.0 112.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.16 -35.8 61.57 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.241 0.928 . . . . 0.0 112.554 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -68.02 -36.04 79.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.433 -0.792 . . . . 0.0 112.155 170.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.4 ttp -60.91 -43.27 98.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.617 1.167 . . . . 0.0 111.596 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.01 -43.79 86.89 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.208 1.003 . . . . 0.0 112.262 169.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -36.4 84.28 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.932 0.787 . . . . 0.0 112.915 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.11 -40.42 74.9 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.073 1.349 . . . . 0.0 111.803 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.65 -19.4 65.19 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.277 1.831 . . . . 0.0 114.319 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -57.33 -18.99 19.69 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -71.21 -17.5 62.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -150.9 -116.79 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.545 1.138 . . . . 0.0 111.722 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -127.41 -47.64 1.44 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.79 1.632 . . . . 0.0 113.212 -169.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -141.27 4.59 1.82 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.269 1.828 . . . . 0.0 112.019 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.97 167.2 25.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.948 1.699 . . . . 0.0 112.815 -169.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 t -133.12 115.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.511 1.924 . . . . 0.0 109.875 -175.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.2 148.6 32.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.69 -0.631 . . . . 0.0 111.781 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -48.19 -50.68 28.26 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -70.92 -27.35 63.71 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.947 -1.096 . . . . 0.0 112.964 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.76 -34.5 58.04 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.602 0.637 . . . . 0.0 111.687 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -60.89 -42.5 98.12 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.343 -0.848 . . . . 0.0 110.535 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -65.64 -37.91 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.369 -0.832 . . . . 0.0 111.847 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -62.1 -37.52 85.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.497 1.044 . . . . 0.0 111.671 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -65.11 -39.75 93.55 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.162 0.892 . . . . 0.0 112.061 171.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.25 -24.52 67.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.325 0.966 . . . . 0.0 112.281 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.34 -38.28 58.57 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.506 1.051 . . . . 0.0 112.929 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.32 81.33 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.047 0.923 . . . . 0.0 112.255 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.0 -42.85 89.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.123 0.969 . . . . 0.0 111.479 172.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.24 67.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.794 0.838 . . . . 0.0 112.629 172.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.66 -31.24 36.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.57 1.148 . . . . 0.0 113.384 172.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -65.16 -32.79 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.719 1.145 . . . . 0.0 111.45 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.63 52.38 0.39 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.14 1.376 . . . . 0.0 110.889 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -55.7 -12.81 1.38 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 117.142 -169.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.88 -26.24 65.91 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.207 -1.558 . . . . 0.0 111.625 169.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.93 69.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.077 1.351 . . . . 0.0 113.371 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.16 -9.22 59.83 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.575 1.55 . . . . 0.0 112.291 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -125.04 10.59 8.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 113.362 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.898 1.713 . . . . 0.0 114.46 -179.804 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.9 mtp . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.73 -67.22 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.783 2.033 . . . . 0.0 114.426 -171.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.8 m -59.11 -46.13 99.37 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-O 117.352 -1.308 . . . . 0.0 114.212 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -53.27 -40.57 77.23 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.849 3.033 . . . . 0.0 114.696 170.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.45 -43.7 55.02 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.457 1.026 . . . . 0.0 111.656 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.04 -38.03 87.19 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.303 1.441 . . . . 0.0 112.03 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -72.39 -28.55 63.07 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.55 -43.99 30.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.728 1.149 . . . . 0.0 112.861 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.9 pt -60.89 -35.12 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.538 1.063 . . . . 0.0 110.129 169.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.4 -17.55 70.64 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.731 1.158 . . . . 0.0 114.214 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -53.47 10.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.087 1.444 . . . . 0.0 109.882 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.69 -42.31 75.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.827 0.851 . . . . 0.0 110.943 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.444 HD12 ' CZ ' ' B' ' 70' ' ' PHE . 5.6 mm -76.05 -35.68 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 118.641 0.655 . . . . 0.0 112.598 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.23 80.25 Favored Glycine 0 N--CA 1.469 0.893 0 C-N-CA 124.442 1.02 . . . . 0.0 112.226 175.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -73.65 -60.76 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.077 0.951 . . . . 0.0 109.248 169.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -53.6 -51.02 64.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.202 0.91 . . . . 0.0 113.14 -172.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -70.91 -19.67 62.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -169.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.21 -45.6 72.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.102 0.961 . . . . 0.0 111.556 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -80.49 -33.24 36.71 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.2 p -71.4 -43.18 67.28 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.419 1.009 . . . . 0.0 111.481 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.69 -20.55 64.11 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.73 1.157 . . . . 0.0 113.889 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.59 -31.61 69.62 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 118.571 1.186 . . . . 0.0 111.993 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -94.64 3.98 54.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 113.16 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.96 16.02 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 125.185 1.374 . . . . 0.0 113.7 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.86 -15.43 60.72 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -170.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -76.18 122.35 24.21 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.425 -0.797 . . . . 0.0 111.476 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -83.12 51.84 2.05 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.582 1.553 . . . . 0.0 113.214 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.3 p -133.86 163.64 29.06 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.946 1.698 . . . . 0.0 111.464 -176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.0 mt -121.07 126.87 50.93 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.128 1.371 . . . . 0.0 109.491 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -78.36 156.85 29.31 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 169.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -60.62 -26.49 67.06 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.767 -1.208 . . . . 0.0 114.174 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -78.52 -35.69 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.949 -1.094 . . . . 0.0 113.588 170.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -67.68 -37.3 82.13 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.703 0.683 . . . . 0.0 111.292 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.06 -43.5 86.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.175 1.39 . . . . 0.0 111.276 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -62.77 -35.69 80.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.692 -1.255 . . . . 0.0 111.803 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -46.37 90.14 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.051 1.34 . . . . 0.0 111.754 172.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -57.6 -53.02 62.95 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.769 1.228 . . . . 0.0 111.581 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.9 mt -61.25 -47.43 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.339 0.972 . . . . 0.0 111.585 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.64 -24.38 67.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.862 1.21 . . . . 0.0 112.995 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -86.56 -56.49 3.4 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -88.28 -15.84 34.71 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -169.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.5 mt -138.36 56.75 1.72 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.429 1.892 . . . . 0.0 109.785 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 122.185 0.993 . . . . 0.0 111.73 -177.541 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.03 -35.53 78.85 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.458 -1.401 . . . . 0.0 111.525 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.72 -28.07 68.38 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.019 1.328 . . . . 0.0 113.013 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.89 -39.18 24.23 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.484 1.114 . . . . 0.0 111.016 171.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.22 -42.32 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.669 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.83 -29.15 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 120.286 1.403 . . . . 0.0 113.034 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -74.3 -35.95 63.72 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.058 0.845 . . . . 0.0 112.64 171.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.12 -37.08 83.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.331 -0.856 . . . . 0.0 111.811 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -60.4 -39.11 86.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.978 1.311 . . . . 0.0 111.467 170.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -65.15 -38.07 89.42 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.066 0.946 . . . . 0.0 113.096 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.19 -20.8 62.23 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.794 1.179 . . . . 0.0 113.811 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.5 -44.3 19.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.46 1.104 . . . . 0.0 110.663 169.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -57.69 -38.91 76.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.525 1.13 . . . . 0.0 112.576 171.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -56.31 -23.2 35.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.158 2.183 . . . . 0.0 113.689 171.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -78.43 -5.1 51.47 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.688 1.195 . . . . 0.0 113.176 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -153.26 -135.35 0.06 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 125.95 1.7 . . . . 0.0 111.189 172.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -118.49 -23.59 7.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.047 1.739 . . . . 0.0 114.71 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -172.12 -32.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.905 1.682 . . . . 0.0 112.207 -173.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -140.39 140.14 35.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.421 1.488 . . . . 0.0 110.745 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.1 m -95.44 134.84 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.25 1.02 . . . . 0.0 110.059 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -80.58 163.83 23.38 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.356 0.598 . . . . 0.0 112.126 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.444 ' CZ ' HD12 ' B' ' 13' ' ' ILE . 23.7 t80 -42.18 -46.8 4.51 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.877 2.071 . . . . 0.0 114.101 172.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.8 -45.33 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.887 0.767 . . . . 0.0 111.374 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.48 -26.94 61.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.577 0.751 . . . . 0.0 112.496 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.58 -42.29 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.816 -0.552 . . . . 0.0 111.273 169.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.29 -42.78 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.737 -0.602 . . . . 0.0 110.666 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.5 m -57.75 -45.48 85.84 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.639 0.776 . . . . 0.0 111.56 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -66.58 -38.41 86.97 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.972 0.805 . . . . 0.0 112.022 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.58 -28.86 68.85 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.917 1.235 . . . . 0.0 112.372 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.18 -40.74 96.98 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.93 0.776 . . . . 0.0 112.092 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.07 84.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.373 0.669 . . . . 0.0 111.957 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.54 -44.74 89.71 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.049 -1.032 . . . . 0.0 111.151 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.889 0.876 . . . . 0.0 112.571 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 46.1 tpp -68.77 -35.83 77.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.146 0.978 . . . . 0.0 111.127 169.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.63 -27.36 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.346 -0.846 . . . . 0.0 111.415 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -74.62 43.75 0.19 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 126.144 1.777 . . . . 0.0 111.33 170.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -56.19 -23.82 37.76 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.27 -35.63 80.9 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.183 1.81 . . . . 0.0 111.789 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.47 -20.2 63.74 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -91.77 11.92 23.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.955 2.102 . . . . 0.0 112.762 170.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt . . . . . 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 111.761 170.12 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.121 0 CA-C-O 119.483 -0.62 . . . . 0.0 114.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.74 -63.33 1.33 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 111.123 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -47.48 -42.38 22.69 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.45 1.5 . . . . 0.0 112.555 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.02 -13.22 45.16 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.28 -29.1 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.984 1.265 . . . . 0.0 109.788 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -80.65 -30.1 36.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.864 2.066 . . . . 0.0 111.488 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -56.36 -32.32 64.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.632 1.173 . . . . 0.0 111.994 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -61.52 -30.27 70.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 13.4 mt -81.24 -40.67 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.025 0.829 . . . . 0.0 111.108 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.3 -40.0 73.63 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.163 0.892 . . . . 0.0 112.739 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.37 -4.24 38.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.661 1.584 . . . . 0.0 114.292 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -109.34 7.18 25.0 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.819 2.048 . . . . 0.0 111.507 170.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.44 169.06 54.78 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.366 1.936 . . . . 0.0 114.085 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.48 158.71 15.33 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.63 -10.37 55.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.162 1.785 . . . . 0.0 113.17 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -62.99 -23.19 67.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.928 1.291 . . . . 0.0 113.814 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 7.8 mmt -53.17 -47.42 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.558 1.072 . . . . 0.0 112.965 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -65.48 -23.38 66.89 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.434 -0.791 . . . . 0.0 113.037 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.97 -51.68 7.82 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.011 1.724 . . . . 0.0 109.562 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 90.4 m -61.7 -51.82 66.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.974 2.11 . . . . 0.0 111.721 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.48 -42.9 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.687 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.96 -54.89 42.08 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.356 0.98 . . . . 0.0 112.104 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.83 -40.76 97.36 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.223 -0.923 . . . . 0.0 112.122 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.61 76.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.931 0.892 . . . . 0.0 113.036 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 N--CA 1.472 0.667 0 CA-C-N 119.151 0.887 . . . . 0.0 112.691 173.918 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 112.645 -0.182 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -52.21 -44.27 64.68 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.069 1.748 . . . . 0.0 113.769 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -26.84 41.29 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.615 1.166 . . . . 0.0 113.912 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.91 -16.42 58.23 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.307 0.958 . . . . 0.0 113.447 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.87 -38.92 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.28 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.31 -34.02 77.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.506 1.522 . . . . 0.0 112.025 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.76 -29.81 41.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 113.199 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -67.18 -21.49 65.78 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.531 -0.731 . . . . 0.0 112.935 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.3 mt -91.65 -37.5 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.136 1.374 . . . . 0.0 110.537 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.71 -38.61 69.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.747 -1.22 . . . . 0.0 112.985 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -6.72 35.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -101.02 -44.58 5.67 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.425 1.49 . . . . 0.0 109.146 169.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.69 165.37 40.45 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.038 1.78 . . . . 0.0 116.679 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -75.04 169.59 17.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.216 1.806 . . . . 0.0 111.741 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -152.77 -33.38 0.13 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -93.42 -23.62 18.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.175 0.99 . . . . 0.0 112.61 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 19.4 ttt -53.03 -50.24 64.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.394 1.078 . . . . 0.0 111.495 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -61.77 -30.79 71.03 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.399 1.08 . . . . 0.0 113.262 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -70.21 -42.82 71.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.047 0.939 . . . . 0.0 110.378 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 25.6 m -67.38 -45.82 75.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.747 0.819 . . . . 0.0 111.575 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.3 mt -55.85 -46.45 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.37 0.668 . . . . 0.0 111.073 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.41 -59.49 5.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.218 0.607 . . . . 0.0 111.557 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.17 -41.45 98.33 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.744 -1.223 . . . . 0.0 112.555 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.09 71.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 78.3 t90 . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 123.64 0.776 . . . . 0.0 112.851 170.644 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -56.51 -39.01 74.63 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -67.14 -41.83 8.9 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.248 1.965 . . . . 0.0 112.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 tp -74.76 -40.31 61.29 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.798 0.726 . . . . 0.0 111.17 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.06 -35.35 80.45 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.454 1.102 . . . . 0.0 112.664 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -73.63 -23.28 59.86 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -47.55 14.57 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.68 -32.75 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 120.996 -1.065 . . . . 0.0 111.142 170.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.81 70.49 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.155 0.883 . . . . 0.0 113.478 171.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -51.99 44.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.295 1.047 . . . . 0.0 110.046 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -59.51 -38.43 80.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.023 0.929 . . . . 0.0 112.212 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.03 -48.51 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.184 0.902 . . . . 0.0 110.744 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -27.92 73.29 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.424 1.011 . . . . 0.0 113.528 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.96 -51.63 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.492 1.117 . . . . 0.0 111.309 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -70.58 -51.18 30.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.668 1.122 . . . . 0.0 113.081 -173.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -68.66 -22.7 64.37 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -42.53 63.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.721 1.209 . . . . 0.0 112.687 169.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.43 -32.35 26.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 p -72.43 -41.99 65.56 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.318 1.417 . . . . 0.0 111.404 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.41 -11.01 64.11 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.416 1.484 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 N--CA 1.473 0.717 0 CA-C-N 118.658 1.229 . . . . 0.0 111.54 170.897 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.76 20.36 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -169.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.58 150.13 47.77 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.667 -1.271 . . . . 0.0 113.007 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -123.25 134.59 54.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.794 2.038 . . . . 0.0 110.211 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.8 p -79.5 168.65 19.14 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.485 -0.76 . . . . 0.0 112.47 171.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -53.97 -47.06 71.76 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.114 -0.991 . . . . 0.0 112.831 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.81 -35.09 64.84 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.355 -0.84 . . . . 0.0 112.465 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.53 -30.84 69.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 111.752 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.34 -45.1 70.25 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.175 0.99 . . . . 0.0 110.77 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.56 -35.96 75.25 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.188 -0.945 . . . . 0.0 112.101 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.75 -51.26 69.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 117.903 -1.046 . . . . 0.0 111.161 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 tt -49.59 -47.8 49.18 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.322 1.419 . . . . 0.0 111.339 173.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.44 -49.37 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 119.187 0.903 . . . . 0.0 112.184 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -69.89 -27.54 64.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.848 0.749 . . . . 0.0 112.852 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -86.91 -48.13 8.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.976 1.262 . . . . 0.0 113.688 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -87.04 -46.3 9.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.827 0.74 . . . . 0.0 112.259 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -82.78 -26.79 31.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.711 0.687 . . . . 0.0 110.803 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.306 6.0 t . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 127.769 2.428 . . . . 0.0 113.816 169.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.65 -23.67 66.22 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.869 -1.144 . . . . 0.0 112.998 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -26.52 67.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.485 1.114 . . . . 0.0 112.697 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.85 -35.79 28.96 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.741 0.817 . . . . 0.0 110.366 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -63.62 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 117.897 -1.049 . . . . 0.0 111.967 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -62.62 -34.25 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 120.04 1.291 . . . . 0.0 112.028 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -73.47 -36.57 65.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.179 0.899 . . . . 0.0 112.672 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.29 -39.26 92.38 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.689 1.131 . . . . 0.0 111.991 171.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -62.26 -37.2 84.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.805 172.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.03 -27.3 60.88 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.586 1.154 . . . . 0.0 113.457 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -75.05 -26.96 59.81 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 112.474 170.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.73 -51.55 40.21 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.577 1.151 . . . . 0.0 109.497 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.87 -22.21 35.21 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.002 1.721 . . . . 0.0 113.83 173.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -61.3 -21.46 63.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.557 1.543 . . . . 0.0 113.078 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -84.8 -31.27 23.98 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.532 1.133 . . . . 0.0 112.815 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -161.62 125.78 3.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.741 1.616 . . . . 0.0 111.521 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.5 129.97 41.58 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 114.051 -171.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 78.51 -45.46 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.887 3.275 . . . . 0.0 112.206 171.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -136.47 120.8 18.01 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 109.484 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.0 m -97.65 123.95 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.164 1.385 . . . . 0.0 110.196 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.16 155.41 30.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.298 0.57 . . . . 0.0 110.123 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -50.73 -34.91 28.89 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.48 1.512 . . . . 0.0 114.359 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -62.72 -45.6 91.96 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.084 -1.01 . . . . 0.0 112.163 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.6 -32.13 63.94 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.812 0.845 . . . . 0.0 111.709 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.2 -47.48 85.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.574 0.75 . . . . 0.0 111.166 169.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -66.21 -38.66 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.569 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -57.04 -42.96 81.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.473 1.033 . . . . 0.0 111.556 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.96 -35.27 76.57 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.04 -28.96 69.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.629 1.104 . . . . 0.0 111.656 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.39 81.04 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.213 0.911 . . . . 0.0 111.818 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.29 85.53 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.268 1.034 . . . . 0.0 111.901 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -53.85 -50.46 66.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.732 1.151 . . . . 0.0 110.876 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.67 82.81 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.586 0.755 . . . . 0.0 113.026 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 ttp -74.64 -33.7 62.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.104 1.361 . . . . 0.0 113.25 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -62.93 -39.17 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 110.091 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -74.5 50.39 0.42 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.041 1.737 . . . . 0.0 113.971 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -49.75 -24.71 2.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.092 2.157 . . . . 0.0 115.559 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -54.86 -31.55 59.72 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.755 1.161 . . . . 0.0 112.67 170.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.51 -27.69 58.86 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.092 -1.005 . . . . 0.0 113.167 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -76.09 -34.37 59.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.459 1.104 . . . . 0.0 110.913 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.44 -42.23 65.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.038 0.935 . . . . 0.0 112.434 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 C-N-CA 125.62 1.581 . . . . 0.0 113.315 178.18 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.85 73.11 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -44.9 99.9 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-O 117.532 -1.223 . . . . 0.0 114.19 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.51 -38.21 83.23 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 123.971 3.114 . . . . 0.0 114.652 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 tp -75.37 -40.64 57.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.164 0.893 . . . . 0.0 111.61 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.95 -36.82 82.55 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.414 1.085 . . . . 0.0 112.196 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -72.35 -31.33 65.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.439 170.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.09 -45.75 59.46 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.809 1.186 . . . . 0.0 112.207 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 pt -64.69 -34.72 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.206 -0.933 . . . . 0.0 110.755 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.01 -32.12 79.07 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.711 1.148 . . . . 0.0 112.838 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -49.66 63.78 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.55 1.14 . . . . 0.0 110.902 174.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.42 -40.75 83.32 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.808 0.843 . . . . 0.0 111.502 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.51 -45.88 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.541 0.609 . . . . 0.0 110.887 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.95 67.23 Favored Glycine 0 N--CA 1.47 0.903 0 C-N-CA 124.708 1.147 . . . . 0.0 113.997 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.48 -39.82 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.692 1.246 . . . . 0.0 112.113 171.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -71.34 -59.42 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.976 0.807 . . . . 0.0 112.176 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -72.53 -20.63 61.31 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -51.77 -38.79 56.95 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.221 1.408 . . . . 0.0 112.62 169.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -76.1 -22.13 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -76.26 -36.14 58.61 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.051 -1.031 . . . . 0.0 110.543 168.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.42 -14.34 48.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 126.208 1.861 . . . . 0.0 114.503 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.45 -37.84 79.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.547 1.139 . . . . 0.0 111.236 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -102.68 -18.93 14.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.389 1.476 . . . . 0.0 112.337 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.07 23.69 43.97 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.161 1.362 . . . . 0.0 113.003 -170.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -84.46 172.99 11.22 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.878 1.271 . . . . 0.0 113.245 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.38 -176.37 1.49 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.46 49.82 0.5 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.619 1.968 . . . . 0.0 114.407 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -147.49 139.78 24.48 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.887 1.675 . . . . 0.0 110.537 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.42 144.17 46.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.79 1.236 . . . . 0.0 110.904 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.9 p -77.83 160.75 28.13 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.021 -1.049 . . . . 0.0 110.233 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -59.28 -26.22 64.77 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.698 -1.251 . . . . 0.0 113.782 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -81.09 -37.77 28.4 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.044 -1.035 . . . . 0.0 113.073 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.86 -33.82 76.44 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.665 1.12 . . . . 0.0 110.943 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.68 -39.03 90.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.188 0.995 . . . . 0.0 110.553 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -59.21 -41.55 88.84 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.788 1.177 . . . . 0.0 111.608 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.89 -40.2 94.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.774 0.716 . . . . 0.0 111.998 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.35 -52.77 63.82 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.133 0.879 . . . . 0.0 110.511 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -60.64 -37.35 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.309 1.043 . . . . 0.0 112.58 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.69 -26.71 66.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.124 1.329 . . . . 0.0 112.554 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -85.08 -47.45 10.18 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.674 1.124 . . . . 0.0 111.628 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -73.87 -49.96 22.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.442 1.097 . . . . 0.0 111.772 -169.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.53 55.51 0.91 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.877 2.071 . . . . 0.0 111.06 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 121.666 0.746 . . . . 0.0 110.394 170.041 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.6 -28.18 69.71 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.094 -1.628 . . . . 0.0 113.185 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.75 70.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 0.0 113.121 170.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -80.99 -36.66 30.43 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.98 0.912 . . . . 0.0 110.692 170.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.75 -48.56 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.793 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.2 m -64.28 -26.65 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.336 1.426 . . . . 0.0 112.581 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.52 -38.61 59.27 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.554 1.07 . . . . 0.0 112.283 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -40.68 88.48 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 169.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 57.9 mtm -69.49 -31.69 70.1 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.55 -35.96 80.06 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.505 1.122 . . . . 0.0 111.971 170.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -71.38 -28.38 63.99 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.116 -0.99 . . . . 0.0 112.918 171.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.99 -48.17 46.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.133 0.973 . . . . 0.0 110.115 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.04 -31.67 72.86 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.169 1.788 . . . . 0.0 113.483 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -54.78 -22.03 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.362 1.465 . . . . 0.0 114.356 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.48 -18.61 61.09 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -141.24 -158.55 0.87 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.093 2.157 . . . . 0.0 111.395 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -101.73 -30.17 11.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.664 1.586 . . . . 0.0 114.205 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -173.56 -35.51 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.773 1.629 . . . . 0.0 112.966 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -107.31 125.62 51.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.625 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.62 119.33 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.801 2.04 . . . . 0.0 108.787 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -78.55 153.19 31.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.583 0.753 . . . . 0.0 111.617 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -47.46 -41.84 21.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.367 1.867 . . . . 0.0 115.07 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -64.03 -43.36 95.81 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.539 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -71.9 -34.9 69.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.757 0.708 . . . . 0.0 111.397 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.44 -42.95 93.09 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 170.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.78 -38.11 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.325 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.3 m -56.17 -41.77 76.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.187 1.358 . . . . 0.0 111.243 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -66.91 -38.46 86.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.23 -23.34 66.6 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.581 1.082 . . . . 0.0 112.272 170.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.16 96.41 Favored Glycine 0 N--CA 1.469 0.855 0 CA-C-N 119.514 1.052 . . . . 0.0 112.651 170.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.71 75.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 112.455 171.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tp -66.89 -38.5 86.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.605 0.762 . . . . 0.0 111.832 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.42 97.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.96 -1.088 . . . . 0.0 111.286 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.9 -35.94 77.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -35.05 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.689 1.131 . . . . 0.0 112.746 178.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -74.02 50.82 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.269 1.028 . . . . 0.0 111.784 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.39 -23.87 51.91 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.947 1.699 . . . . 0.0 114.385 -169.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -50.65 -37.31 40.0 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.967 1.307 . . . . 0.0 112.421 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.94 -27.77 61.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.477 1.111 . . . . 0.0 113.18 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.38 -39.33 39.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 110.259 172.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt . . . . . 0 N--CA 1.474 0.763 0 C-N-CA 124.536 1.135 . . . . 0.0 112.503 176.252 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -54.34 -35.51 62.8 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -170.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.29 -31.57 21.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.222 1.409 . . . . 0.0 113.419 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.1 -19.4 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.7 t -97.23 -36.81 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.573 1.549 . . . . 0.0 109.292 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.79 -36.41 83.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.47 1.508 . . . . 0.0 110.924 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -54.55 -33.56 60.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.559 1.143 . . . . 0.0 113.132 172.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.52 -20.94 66.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.153 -0.967 . . . . 0.0 113.013 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 58.2 mt -91.53 -41.97 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.398 1.479 . . . . 0.0 110.799 172.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -50.98 -43.38 60.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.978 0.911 . . . . 0.0 113.192 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.2 -1.18 48.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -110.16 -41.0 4.54 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.473 1.509 . . . . 0.0 113.482 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -124.11 132.32 8.29 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.795 1.188 . . . . 0.0 114.533 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -172.76 126.47 0.48 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.794 2.437 . . . . 0.0 109.99 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -164.42 -59.92 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.544 1.138 . . . . 0.0 112.654 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.29 -25.05 60.51 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 22.8 mmt -52.66 -47.89 66.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.898 0.879 . . . . 0.0 111.243 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -65.94 -19.46 65.87 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.778 1.231 . . . . 0.0 112.858 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -85.59 -47.22 10.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.139 1.376 . . . . 0.0 111.819 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 62.2 m -71.79 -49.78 35.7 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.311 1.444 . . . . 0.0 112.458 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.7 -34.19 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.835 0.743 . . . . 0.0 111.66 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -60.39 -28.85 68.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.198 0.999 . . . . 0.0 113.328 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -99.2 -38.08 9.04 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.53 66.8 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -171.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 37.2 m95 . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 124.747 1.219 . . . . 0.0 113.391 176.242 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -44.15 74.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.286 0.634 . . . . 0.0 112.546 -175.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -31.61 69.62 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.29 1.436 . . . . 0.0 113.42 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -81.29 -16.46 52.45 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.557 1.071 . . . . 0.0 113.328 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.0 t -87.79 -38.26 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.127 1.371 . . . . 0.0 109.738 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 38.4 mt -68.71 -32.5 72.34 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.765 1.626 . . . . 0.0 111.379 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.03 -45.4 79.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 112.127 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -77.09 -12.97 60.01 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 80.3 mt -87.18 -43.63 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.845 1.258 . . . . 0.0 110.967 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -54.36 -39.6 67.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.452 1.501 . . . . 0.0 113.102 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.27 -1.32 3.24 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.106 1.362 . . . . 0.0 114.642 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.15 -16.8 56.1 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.295 1.038 . . . . 0.0 113.0 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 112.56 -173.28 15.19 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.961 1.744 . . . . 0.0 114.607 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.14 162.27 25.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.606 1.962 . . . . 0.0 111.76 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -155.39 -61.79 0.11 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.786 1.235 . . . . 0.0 112.279 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.73 -26.81 67.45 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.58 -52.11 66.94 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.853 0.861 . . . . 0.0 109.86 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -60.02 -28.36 67.67 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.124 -0.985 . . . . 0.0 112.778 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -76.29 -25.89 55.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.775 0.716 . . . . 0.0 112.606 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 27.9 m -97.1 -47.2 5.87 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.302 1.441 . . . . 0.0 112.838 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.3 mm -54.3 -49.7 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.453 1.101 . . . . 0.0 111.317 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -53.58 -38.19 63.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.294 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.54 -25.4 64.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.412 1.085 . . . . 0.0 113.775 -176.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -90.46 -35.0 15.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.244 1.018 . . . . 0.0 111.393 169.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 125.417 1.487 . . . . 0.0 113.335 -169.916 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -40.2 -44.46 4.28 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -174.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -70.69 -30.5 17.88 Favored 'Trans proline' 0 C--N 1.356 0.97 0 CA-C-N 122.805 2.037 . . . . 0.0 113.477 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -82.02 -39.3 23.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.804 1.184 . . . . 0.0 111.666 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -56.93 -38.27 72.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.095 . . . . 0.0 112.558 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -67.03 -29.14 68.87 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.28 10.09 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.335 0.971 . . . . 0.0 112.789 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.252 10.6 pt -66.86 -26.51 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 120.812 -1.18 . . . . 0.0 111.588 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.85 -22.39 79.11 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.652 1.12 . . . . 0.0 113.272 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -51.05 56.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.285 1.542 . . . . 0.0 109.679 171.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -57.62 -41.52 81.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.102 0.961 . . . . 0.0 111.542 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.54 -45.98 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.274 0.943 . . . . 0.0 111.406 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -32.63 82.26 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.728 1.156 . . . . 0.0 112.719 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.08 -55.54 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 118.436 1.118 . . . . 0.0 110.294 169.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.1 -55.05 40.02 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.252 1.421 . . . . 0.0 114.563 -169.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.75 -22.25 66.05 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -168.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -55.73 -44.6 77.67 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.695 0.679 . . . . 0.0 111.681 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -81.58 -36.24 29.24 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.945 1.298 . . . . 0.0 112.52 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -61.58 -24.22 66.52 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.54 1.064 . . . . 0.0 113.704 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 14.12 65.71 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.594 1.569 . . . . 0.0 115.098 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm . . . . . 0 CA--C 1.542 0.637 0 CA-C-N 119.37 1.585 . . . . 0.0 110.982 173.08 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm . . . . . 0 CA--C 1.543 0.706 0 CA-C-O 121.575 0.703 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 30.03 4.47 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.943 2.097 . . . . 0.0 113.025 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -143.73 152.5 41.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.016 2.127 . . . . 0.0 111.29 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -116.13 134.04 55.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.083 1.753 . . . . 0.0 111.073 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.6 p -79.62 170.76 16.08 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.335 -0.853 . . . . 0.0 110.838 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -55.25 -49.87 70.92 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.338 -1.476 . . . . 0.0 113.299 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -70.01 -33.99 72.72 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.72 -33.71 74.4 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.241 1.416 . . . . 0.0 111.438 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.47 HD11 HD13 ' A' ' 60' ' ' LEU . 2.6 tm? -71.07 -44.17 66.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.852 1.261 . . . . 0.0 110.872 169.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -40.87 76.6 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.745 -1.222 . . . . 0.0 111.055 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.27 -51.58 68.77 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.727 1.211 . . . . 0.0 111.651 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.21 -48.28 62.07 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.09 1.314 . . . . 0.0 111.689 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.7 -50.01 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.484 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -69.92 -26.91 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -87.54 -49.41 7.2 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.39 -46.12 9.93 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.046 0.839 . . . . 0.0 112.027 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -105.44 36.27 2.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.275 1.43 . . . . 0.0 109.754 -171.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 C-N-CA 127.815 2.446 . . . . 0.0 115.535 -168.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.17 -27.05 65.31 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.315 -1.49 . . . . 0.0 113.037 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.1 69.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.321 . . . . 0.0 112.82 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.33 -31.96 37.99 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.658 0.783 . . . . 0.0 111.495 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.1 mm -67.07 -42.06 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.086 1.312 . . . . 0.0 111.965 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -65.56 -30.57 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.395 0.998 . . . . 0.0 111.443 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -76.6 -36.62 57.39 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.728 -0.608 . . . . 0.0 112.159 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.91 -42.13 98.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.158 0.89 . . . . 0.0 111.136 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -60.82 -37.76 83.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.137 0.975 . . . . 0.0 112.026 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.07 -31.22 67.58 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.103 0.961 . . . . 0.0 113.141 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -73.53 -32.65 64.33 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.951 1.3 . . . . 0.0 112.59 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD13 HD11 ' A' ' 34' ' ' LEU . 1.1 mt -67.53 -43.61 80.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.568 1.547 . . . . 0.0 111.735 169.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.87 -18.21 64.73 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.067 1.347 . . . . 0.0 113.463 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -54.17 -27.4 33.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.785 1.634 . . . . 0.0 113.742 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -61.32 -30.29 70.4 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.563 1.145 . . . . 0.0 113.438 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -143.34 -132.15 0.09 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 110.783 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -168.78 97.2 0.38 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.869 2.068 . . . . 0.0 110.438 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 112.03 -14.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 131.252 3.821 . . . . 0.0 113.091 170.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -159.3 153.44 23.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.462 1.105 . . . . 0.0 112.43 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.6 t -127.2 112.15 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.388 1.875 . . . . 0.0 108.057 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -79.19 160.26 27.02 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.305 0.642 . . . . 0.0 110.672 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -49.17 -46.12 44.98 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -174.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -64.74 -36.7 85.13 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.196 -0.94 . . . . 0.0 112.244 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -71.59 -34.83 70.22 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.979 0.912 . . . . 0.0 111.842 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -61.73 -46.48 89.48 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.67 1.188 . . . . 0.0 111.204 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.4 mt -67.32 -35.59 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.334 -0.854 . . . . 0.0 111.782 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.2 m -61.14 -42.64 98.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 111.146 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.7 -39.87 91.69 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.104 0.865 . . . . 0.0 111.828 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.44 -22.94 67.11 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.048 0.84 . . . . 0.0 112.691 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.01 -36.47 60.77 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.267 0.937 . . . . 0.0 112.071 169.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.85 78.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 117.913 0.857 . . . . 0.0 111.062 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 tp -61.95 -39.52 92.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.687 1.195 . . . . 0.0 111.953 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.91 71.26 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.867 0.867 . . . . 0.0 112.436 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.8 ttm -74.31 -23.57 59.09 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -61.9 -29.37 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.35 0.977 . . . . 0.0 111.236 170.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.16 57.41 0.85 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.2 1.0 . . . . 0.0 111.63 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -50.76 -27.99 8.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.353 1.861 . . . . 0.0 115.284 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -68.66 -45.55 71.44 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.378 0.99 . . . . 0.0 111.767 174.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.78 74.31 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.252 1.021 . . . . 0.0 111.835 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -5.42 35.12 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.752 2.021 . . . . 0.0 113.748 173.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -117.38 -43.89 2.8 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.637 1.575 . . . . 0.0 112.627 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 CA-C-O 118.071 -1.405 . . . . 0.0 113.864 -179.521 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 111.235 0.087 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.68 -40.05 66.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -52.53 -43.83 93.11 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.44 -39.89 72.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.109 3.206 . . . . 0.0 114.365 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 40.7 tp -74.35 -43.41 56.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.339 0.972 . . . . 0.0 111.247 174.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.2 -41.68 93.51 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 0.0 111.103 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.5 -23.86 60.1 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.95 -42.03 58.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.48 1.037 . . . . 0.0 111.662 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 pt -67.9 -26.77 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.25 -0.906 . . . . 0.0 111.245 169.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.37 -22.7 74.88 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.871 1.224 . . . . 0.0 113.621 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.3 56.31 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.156 1.478 . . . . 0.0 110.51 171.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -56.88 -42.59 80.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.892 1.277 . . . . 0.0 112.098 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.4 mt -66.6 -47.25 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 118.303 0.502 . . . . 0.0 110.463 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.86 85.61 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.32 0.962 . . . . 0.0 114.1 -174.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.83 -44.08 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.588 1.194 . . . . 0.0 111.497 171.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -69.39 -50.11 49.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.711 0.687 . . . . 0.0 112.479 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -72.91 -24.02 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -61.4 -39.65 91.5 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.603 -0.686 . . . . 0.0 110.993 168.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.84 -41.93 20.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -60.96 -18.61 58.1 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.02 -7.13 86.6 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.979 -0.901 . . . . 0.0 114.604 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.06 -33.93 33.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.202 1.501 . . . . 0.0 113.512 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -158.89 -18.18 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.55 -171.99 31.17 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.113 1.34 . . . . 0.0 114.423 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.72 -162.94 1.0 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.056 1.342 . . . . 0.0 111.246 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -62.44 -23.25 66.77 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.754 -1.216 . . . . 0.0 114.21 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.97 19.36 1.12 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.481 1.513 . . . . 0.0 114.393 -172.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 78.7 p -127.34 158.09 38.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.949 1.3 . . . . 0.0 112.29 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -126.62 144.58 50.85 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.076 2.151 . . . . 0.0 108.96 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -77.1 158.88 30.21 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.597 1.09 . . . . 0.0 109.458 168.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -61.81 -30.52 70.88 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.674 -1.891 . . . . 0.0 112.826 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -42.89 60.55 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.525 -1.36 . . . . 0.0 112.171 173.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -62.6 -38.69 91.13 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.03 1.332 . . . . 0.0 111.265 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.402 ' C ' HD13 ' B' ' 34' ' ' LEU . 2.5 tm? -63.52 -42.1 98.47 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.165 1.386 . . . . 0.0 111.927 169.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -54.47 -43.86 72.07 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.938 1.245 . . . . 0.0 110.726 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.54 -40.61 93.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.665 0.786 . . . . 0.0 112.455 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.49 -48.02 78.04 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.329 -0.844 . . . . 0.0 111.063 170.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.8 -42.35 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.841 1.2 . . . . 0.0 111.193 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -60.28 -34.2 73.41 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.111 1.323 . . . . 0.0 112.677 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -86.91 -24.81 24.7 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -84.95 -52.42 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.165 1.786 . . . . 0.0 111.417 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -117.7 74.28 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.906 2.483 . . . . 0.0 107.791 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 54.4 m . . . . . 0 N--CA 1.47 0.541 0 C-N-CA 124.617 1.167 . . . . 0.0 109.737 -175.77 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.69 -39.82 74.5 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.384 -1.448 . . . . 0.0 112.498 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.01 70.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 112.679 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -80.73 -31.68 35.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.731 0.812 . . . . 0.0 111.613 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -70.97 -39.94 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.999 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.0 m -66.32 -28.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.981 1.264 . . . . 0.0 111.836 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -70.35 -46.63 63.73 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.874 0.87 . . . . 0.0 111.445 169.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.98 -44.4 82.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.047 0.939 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -62.13 -41.19 98.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.799 1.639 . . . . 0.0 112.678 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -73.68 -30.54 62.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.918 0.781 . . . . 0.0 112.807 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.5 -25.53 60.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.139 0.976 . . . . 0.0 112.568 170.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.62 -43.42 55.56 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.23 169.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.39 -9.91 57.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.44 1.496 . . . . 0.0 114.338 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -58.42 -20.51 45.22 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.279 1.032 . . . . 0.0 112.735 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -66.25 -18.1 65.15 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.782 1.633 . . . . 0.0 113.732 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -151.72 -122.12 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.715 2.006 . . . . 0.0 110.603 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -163.22 19.59 0.08 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.274 1.429 . . . . 0.0 114.81 -175.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -176.01 -24.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.655 1.582 . . . . 0.0 113.542 -170.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -155.76 151.72 27.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.849 1.26 . . . . 0.0 112.036 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 44.1 t -119.33 122.47 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.936 2.095 . . . . 0.0 108.823 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -89.68 153.17 20.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.106 0.962 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.45 -42.91 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.42 -43.16 95.23 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.371 0.532 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.97 -34.25 73.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.2 . . . . 0.0 111.911 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -58.56 -39.93 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.583 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.33 -36.85 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 121.194 -0.941 . . . . 0.0 112.349 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -59.71 -37.03 77.73 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.063 1.301 . . . . 0.0 111.332 171.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -68.55 -41.06 80.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.684 0.793 . . . . 0.0 112.194 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.38 -30.59 71.7 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.212 0.914 . . . . 0.0 112.235 171.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.5 -25.04 69.85 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-O 118.392 -1.227 . . . . 0.0 113.188 170.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.02 -50.36 9.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.337 1.568 . . . . 0.0 110.56 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.36 -48.1 62.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.651 1.18 . . . . 0.0 111.505 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.53 61.19 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.495 1.118 . . . . 0.0 113.24 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 12.9 ttt -80.72 -42.39 21.99 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.753 1.221 . . . . 0.0 111.639 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.51 -24.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.053 1.741 . . . . 0.0 111.546 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -55.13 -29.12 57.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.178 0.991 . . . . 0.0 112.505 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.253 7.3 p30 51.43 -50.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 1 C-N-CA 133.031 4.532 . . . . 0.0 118.068 169.687 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.17 -28.82 67.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.499 1.12 . . . . 0.0 111.33 172.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.91 77.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.442 1.097 . . . . 0.0 113.014 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.6 mt -67.42 -49.17 64.93 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.592 0.633 . . . . 0.0 110.439 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 123.737 0.815 . . . . 0.0 112.836 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.957 -0.457 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.94 -29.97 68.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.637 1.175 . . . . 0.0 113.323 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 74.1 mtm -53.76 -30.24 43.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.808 1.243 . . . . 0.0 112.556 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -68.13 -17.94 64.5 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.08 -42.9 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.319 1.448 . . . . 0.0 109.284 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.3 -35.83 80.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.161 1.384 . . . . 0.0 112.074 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -67.7 -23.32 65.27 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.212 -0.93 . . . . 0.0 112.997 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -69.53 -23.61 63.61 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.974 -1.079 . . . . 0.0 112.999 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.48 -26.24 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.383 1.073 . . . . 0.0 111.107 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -53.9 -37.38 63.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.282 -0.886 . . . . 0.0 112.212 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.27 -2.96 58.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.178 1.791 . . . . 0.0 113.905 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -103.61 -28.82 11.49 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.629 1.571 . . . . 0.0 111.873 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -65.26 157.97 46.31 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.165 1.364 . . . . 0.0 113.078 173.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -91.17 162.29 14.72 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.132 1.373 . . . . 0.0 112.936 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.43 -14.95 32.37 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.217 1.407 . . . . 0.0 113.232 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -59.93 -27.36 66.71 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.587 1.155 . . . . 0.0 113.56 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 36.8 ttm -54.93 -53.71 52.15 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.914 0.886 . . . . 0.0 110.057 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -72.64 -24.48 61.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.522 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -36.32 83.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.435 1.471 . . . . 0.0 111.813 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 45.9 m -76.96 -44.89 29.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 112.348 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 82.1 mt -66.2 -45.36 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.017 0.371 . . . . 0.0 111.477 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 112.999 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -58.68 -49.79 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.997 -1.064 . . . . 0.0 112.142 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.612 0.765 . . . . 0.0 112.529 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 68.2 t90 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.722 1.209 . . . . 0.0 112.74 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.108 0 CA-C-O 119.322 -0.71 . . . . 0.0 114.254 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 192' ' ' LEU . . . . . 0.502 ' H ' HD23 ' D' ' 192' ' ' LEU . 1.9 pt? -55.2 -37.48 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.638 1.175 . . . . 0.0 112.221 175.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -55.65 -30.84 61.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.613 1.565 . . . . 0.0 113.133 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.01 -25.8 64.68 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.611 1.096 . . . . 0.0 112.913 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.23 -36.85 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.229 1.411 . . . . 0.0 109.781 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 58.0 mt -72.1 -24.55 61.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.934 1.693 . . . . 0.0 113.07 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.38 -29.43 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.13 -0.982 . . . . 0.0 112.319 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -64.82 -19.71 66.0 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.379 -0.826 . . . . 0.0 113.066 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.75 -45.67 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.419 1.488 . . . . 0.0 110.756 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -51.54 -41.95 61.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.596 1.158 . . . . 0.0 113.293 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.58 -5.33 56.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.767 1.227 . . . . 0.0 113.927 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -110.96 -38.94 4.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.666 1.586 . . . . 0.0 114.266 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.79 139.7 20.26 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 115.699 1.039 . . . . 0.0 115.699 -169.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -153.97 44.16 0.57 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.126 2.17 . . . . 0.0 109.854 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.38 -168.56 1.74 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.594 1.958 . . . . 0.0 114.728 -169.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.66 -24.56 57.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -61.62 -37.67 84.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.361 0.982 . . . . 0.0 111.119 173.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -65.42 -25.53 67.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.639 -1.288 . . . . 0.0 111.564 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -78.5 -42.6 29.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.531 1.133 . . . . 0.0 111.895 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 70.5 p -69.87 -38.38 76.39 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.682 1.128 . . . . 0.0 111.895 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 25.4 mm -61.79 -42.45 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.562 1.145 . . . . 0.0 111.86 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.45 -47.42 84.05 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.079 0.854 . . . . 0.0 111.247 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.87 -48.2 82.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.252 -0.905 . . . . 0.0 112.348 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.31 74.05 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.2 t90 . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 123.921 0.888 . . . . 0.0 111.602 177.525 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -40.9 -51.39 7.25 Favored Pre-proline 0 CA--C 1.547 0.837 0 N-CA-C 117.306 2.335 . . . . 0.0 117.306 -169.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.51 -34.65 14.94 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.707 1.605 . . . . 0.0 112.49 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.4 tp -75.86 -39.48 56.47 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.107 0.867 . . . . 0.0 111.46 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.6 -38.77 90.42 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.06 0.544 . . . . 0.0 110.874 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -69.61 -31.02 68.9 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.494 -0.754 . . . . 0.0 112.725 172.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.86 69.47 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.875 1.216 . . . . 0.0 112.545 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 pt -63.22 -30.43 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 118.931 0.787 . . . . 0.0 111.001 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -33.71 87.98 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.88 1.229 . . . . 0.0 113.255 172.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.99 62.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.225 1.012 . . . . 0.0 110.105 173.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.07 -39.56 78.83 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.488 1.115 . . . . 0.0 112.369 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.68 -52.14 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.549 1.068 . . . . 0.0 110.43 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.55 -31.93 71.08 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.471 -0.627 . . . . 0.0 113.389 -175.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -68.23 -37.49 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.309 1.054 . . . . 0.0 112.473 172.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -80.12 -50.82 9.78 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.777 0.717 . . . . 0.0 112.019 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -68.39 -26.74 65.71 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -62.83 -33.11 74.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.33 -0.856 . . . . 0.0 112.813 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -80.44 -37.54 31.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.187 0.995 . . . . 0.0 111.997 172.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.8 m -56.43 -43.16 79.14 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.254 0.934 . . . . 0.0 113.453 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.94 -5.99 54.59 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 119.06 -0.856 . . . . 0.0 115.072 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm . . . . . 0 CA--C 1.546 0.791 0 CA-C-N 119.099 1.45 . . . . 0.0 113.043 177.673 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttp . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.03 49.24 0.64 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.112 1.765 . . . . 0.0 112.417 -169.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -123.42 162.58 22.53 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.555 1.542 . . . . 0.0 111.096 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.4 mt -128.61 137.52 51.73 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.239 1.416 . . . . 0.0 109.639 169.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.9 p -77.73 164.53 25.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.74 -1.225 . . . . 0.0 109.246 169.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -56.86 -35.08 68.46 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.481 -1.387 . . . . 0.0 112.643 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.64 -43.6 72.31 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.942 -1.099 . . . . 0.0 112.836 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.92 -35.42 78.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.402 -0.811 . . . . 0.0 112.175 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.05 -40.23 78.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.027 1.731 . . . . 0.0 110.755 172.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -57.27 -46.53 82.99 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.613 -1.305 . . . . 0.0 111.31 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -60.12 -36.59 77.81 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.18 0.992 . . . . 0.0 112.217 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.51 -52.73 56.32 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 110.705 169.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.3 mt -57.3 -46.95 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.789 1.177 . . . . 0.0 112.064 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.02 -34.35 76.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.424 0.557 . . . . 0.0 112.416 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.38 7.2 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 176.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.92 -14.27 42.35 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.117 1.367 . . . . 0.0 114.119 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -120.13 43.78 2.6 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 167.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.476 0.872 1 C-N-CA 131.911 4.084 . . . . 0.0 114.707 -169.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.5 -26.31 68.47 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.165 -1.584 . . . . 0.0 114.139 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.9 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.466 1.106 . . . . 0.0 113.557 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -80.78 -38.11 29.08 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 109.516 169.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.7 mm -61.64 -42.4 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.018 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.8 m -64.32 -28.13 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.56 1.527 . . . . 0.0 112.867 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -74.6 -31.86 62.17 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.312 0.96 . . . . 0.0 113.084 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.95 -36.18 72.47 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.028 -1.045 . . . . 0.0 111.838 171.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 mtp -62.19 -39.38 92.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.929 1.292 . . . . 0.0 112.163 171.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.99 -32.98 73.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.837 0.855 . . . . 0.0 112.386 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.77 -33.64 52.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 112.784 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.56 -48.11 65.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -77.96 -7.16 56.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.906 0.882 . . . . 0.0 112.525 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -55.21 -28.83 55.86 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.622 1.101 . . . . 0.0 112.713 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -82.98 -2.96 56.58 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -143.81 -29.25 0.51 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 62.73 19.27 11.29 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.944 2.498 . . . . 0.0 113.546 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -148.62 -82.75 0.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.865 1.666 . . . . 0.0 109.528 -169.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -128.79 141.64 51.24 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.289 2.235 . . . . 0.0 108.42 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -79.88 106.79 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.91 1.284 . . . . 0.0 108.677 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -80.33 157.94 26.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 111.652 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.43 -42.61 87.66 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -169.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 -40.93 90.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.559 1.072 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -66.77 -36.32 82.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.235 1.414 . . . . 0.0 112.097 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.53 -42.16 87.14 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.81 0.844 . . . . 0.0 111.331 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.32 -40.55 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.237 -0.914 . . . . 0.0 111.686 177.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -54.49 -41.17 69.26 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.633 1.106 . . . . 0.0 111.536 170.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -39.33 76.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.31 -28.96 68.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.535 1.061 . . . . 0.0 111.696 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.8 -34.57 90.25 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.063 0.839 . . . . 0.0 113.42 169.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.57 -44.37 57.51 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.777 1.289 . . . . 0.0 111.834 170.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.15 -45.32 79.68 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.247 1.019 . . . . 0.0 110.903 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.87 69.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.053 1.341 . . . . 0.0 113.821 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.12 -34.26 43.54 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 112.661 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.08 -33.62 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.764 0.826 . . . . 0.0 110.679 171.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -70.91 43.92 0.08 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.352 1.461 . . . . 0.0 111.798 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -52.44 -22.29 4.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.016 2.526 . . . . 0.0 117.466 -168.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.73 -22.06 66.9 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 120.775 1.625 . . . . 0.0 112.825 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.57 -53.21 9.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.935 1.694 . . . . 0.0 111.774 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.2 tp -78.68 46.29 0.65 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.771 2.028 . . . . 0.0 111.911 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -153.58 -27.07 0.14 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.331 1.452 . . . . 0.0 113.208 -169.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.228 0 CA-C-O 117.638 -1.645 . . . . 0.0 113.215 177.225 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.19 77.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.05 -37.52 33.48 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -59.25 -39.17 80.71 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.046 2.498 . . . . 0.0 113.896 169.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -76.32 -40.91 50.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.952 0.796 . . . . 0.0 111.711 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.87 -37.42 84.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.12 1.368 . . . . 0.0 112.271 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -76.32 -20.86 56.86 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.83 -48.12 12.87 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.474 1.034 . . . . 0.0 112.045 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 pt -63.36 -32.33 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.088 -1.008 . . . . 0.0 110.65 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.84 70.28 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.789 1.185 . . . . 0.0 113.914 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -50.52 34.24 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.791 1.295 . . . . 0.0 110.015 171.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.31 -42.39 81.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.809 0.843 . . . . 0.0 111.251 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.28 -45.66 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 CA-C-N 118.816 0.734 . . . . 0.0 111.08 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.73 -33.5 86.15 Favored Glycine 0 N--CA 1.47 0.935 0 C-N-CA 124.523 1.059 . . . . 0.0 112.877 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mt -72.15 -57.39 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 117.893 0.847 . . . . 0.0 109.879 169.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.48 -51.11 68.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.467 0.707 . . . . 0.0 112.841 -173.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -70.81 -25.6 62.93 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -172.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.52 -41.77 99.06 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.442 -0.786 . . . . 0.0 111.363 169.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -81.33 -43.85 18.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.3 p -65.63 -26.14 67.69 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.098 1.772 . . . . 0.0 112.851 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.99 -2.54 58.25 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.828 1.204 . . . . 0.0 115.231 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.32 -40.17 81.76 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.936 1.368 . . . . 0.0 113.011 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -82.71 -22.48 34.48 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.87 -166.5 31.94 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.895 1.236 . . . . 0.0 113.224 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 103.28 1.25 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.313 1.045 . . . . 0.0 111.054 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -146.44 170.46 16.8 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.66 1.584 . . . . 0.0 113.292 -169.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -139.12 21.37 2.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.57 1.948 . . . . 0.0 112.977 172.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -143.31 141.05 30.85 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.268 2.227 . . . . 0.0 109.655 -173.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.3 131.58 39.78 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.668 1.187 . . . . 0.0 111.079 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.5 t -78.78 150.99 32.24 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.555 -0.715 . . . . 0.0 109.981 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -57.84 -34.66 69.94 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.22 -1.55 . . . . 0.0 114.136 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -74.62 -30.77 61.78 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.57 1.548 . . . . 0.0 113.496 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.33 -38.01 63.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.847 2.059 . . . . 0.0 109.852 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.23 -43.63 98.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.537 1.535 . . . . 0.0 109.719 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -62.38 -29.26 70.35 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.675 -1.266 . . . . 0.0 112.497 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -50.04 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.147 1.379 . . . . 0.0 110.916 169.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.17 -50.97 57.96 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.903 1.281 . . . . 0.0 111.049 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.4 -53.82 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.327 0.512 . . . . 0.0 111.349 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -65.86 -23.8 66.74 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -86.7 -51.35 6.17 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -86.69 -41.05 14.5 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.611 0.764 . . . . 0.0 112.847 -172.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.61 -41.22 10.33 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.575 0.75 . . . . 0.0 110.313 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 130.53 3.532 . . . . 0.0 112.276 177.341 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.76 -27.11 69.06 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.294 -0.879 . . . . 0.0 112.631 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.62 69.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.704 1.202 . . . . 0.0 112.751 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -81.54 -37.19 28.18 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.836 0.854 . . . . 0.0 111.361 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -61.35 -43.65 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.846 0.748 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.85 -26.93 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.945 0.793 . . . . 0.0 112.097 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -79.04 -34.68 43.6 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.134 0.879 . . . . 0.0 112.091 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -43.34 87.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.993 -1.067 . . . . 0.0 110.373 170.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -58.26 -40.95 83.17 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.362 1.065 . . . . 0.0 111.476 171.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.39 -34.66 78.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.703 1.201 . . . . 0.0 113.262 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.76 -18.36 59.57 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -81.44 -47.56 13.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 110.025 168.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.36 -12.36 20.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.175 2.19 . . . . 0.0 113.431 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.03 -25.08 65.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.575 1.95 . . . . 0.0 112.837 169.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -69.98 -40.08 75.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.872 0.869 . . . . 0.0 112.64 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.51 131.4 2.62 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.784 2.034 . . . . 0.0 109.57 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -68.97 29.27 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 -168.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -156.27 -51.93 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.008 -1.058 . . . . 0.0 110.978 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -138.97 135.91 34.84 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 110.334 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.15 119.08 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.303 2.241 . . . . 0.0 108.557 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -77.85 160.44 28.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 111.659 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.87 -47.07 68.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.716 1.206 . . . . 0.0 114.224 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.34 -30.95 70.91 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.512 -0.743 . . . . 0.0 112.373 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -74.32 -38.73 63.22 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.365 1.066 . . . . 0.0 110.859 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -59.98 -44.72 94.31 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -68.67 -34.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.266 -0.896 . . . . 0.0 112.289 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.7 m -62.24 -40.36 95.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.671 1.123 . . . . 0.0 111.089 173.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.29 -38.93 85.82 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.245 0.618 . . . . 0.0 112.156 172.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.59 -22.09 66.71 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.344 -0.847 . . . . 0.0 112.606 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.79 -38.23 92.89 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 119.871 1.214 . . . . 0.0 112.158 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -40.63 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.94 0.87 . . . . 0.0 111.677 169.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.54 -15.55 63.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.793 0.837 . . . . 0.0 113.105 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.62 -45.2 16.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.503 1.121 . . . . 0.0 109.379 168.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 ttm -67.34 -25.86 66.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.948 1.299 . . . . 0.0 113.892 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.97 -29.61 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.114 0.87 . . . . 0.0 112.385 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.34 53.06 0.81 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.72 1.608 . . . . 0.0 111.584 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -42.48 -36.75 1.41 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.9 2.88 . . . . 0.0 115.881 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.86 -27.33 62.8 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.249 0.932 . . . . 0.0 113.22 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.79 65.17 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.979 -1.076 . . . . 0.0 112.12 169.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.32 16.28 18.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.627 1.971 . . . . 0.0 112.111 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt . . . . . 0 N--CA 1.478 0.944 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 168.937 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.219 0 CA-C-O 118.806 -0.997 . . . . 0.0 114.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.13 -68.05 0.22 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.157 1.383 . . . . 0.0 111.038 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 26.2 mmt -59.47 -27.95 66.57 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.364 -0.835 . . . . 0.0 112.584 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -66.67 -18.91 65.62 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 55.1 t -96.65 -32.97 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.65 1.18 . . . . 0.0 109.923 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.71 -30.82 70.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.295 1.438 . . . . 0.0 111.894 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.63 -30.16 60.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.391 1.076 . . . . 0.0 112.862 172.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -65.28 -22.8 66.89 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.187 -0.946 . . . . 0.0 113.084 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 54.5 mt -87.9 -43.52 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.008 1.323 . . . . 0.0 110.522 169.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -50.73 -42.24 57.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.262 1.025 . . . . 0.0 113.561 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.68 -10.06 59.35 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -110.45 14.02 22.64 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.181 2.192 . . . . 0.0 112.054 172.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -60.97 151.06 42.36 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.363 1.459 . . . . 0.0 116.513 -169.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.83 161.36 21.19 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.699 2.399 . . . . 0.0 115.401 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -112.89 -2.23 14.38 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.891 2.077 . . . . 0.0 113.756 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -91.39 -28.44 17.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.878 1.217 . . . . 0.0 113.294 170.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 39.1 ttm -50.23 -48.58 54.46 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.298 1.439 . . . . 0.0 111.386 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -56.38 -37.16 69.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.709 0.804 . . . . 0.0 112.936 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -74.1 -37.83 64.04 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.774 0.83 . . . . 0.0 111.096 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 92.9 m -73.73 -37.27 65.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.884 1.273 . . . . 0.0 111.877 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.03 -47.53 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.894 0.878 . . . . 0.0 110.429 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.16 -37.8 84.18 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 122.001 -0.437 . . . . 0.0 112.012 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -63.96 -57.18 10.51 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.685 0.794 . . . . 0.0 111.966 170.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -51.31 -25.66 6.25 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.488 1.915 . . . . 0.0 114.255 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 125.413 1.485 . . . . 0.0 112.931 175.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.223 0 N-CA-C 115.074 0.79 . . . . 0.0 115.074 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 pp -52.72 -40.5 63.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.378 1.471 . . . . 0.0 113.977 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -26.42 49.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.928 1.291 . . . . 0.0 113.598 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -71.37 -17.29 62.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.101 0.96 . . . . 0.0 113.51 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 52.3 t -97.3 -38.54 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.121 1.368 . . . . 0.0 109.528 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.52 -35.28 79.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.053 1.341 . . . . 0.0 111.769 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -55.78 -34.3 65.14 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.345 1.058 . . . . 0.0 112.496 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.43 -15.2 63.54 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 21.7 mm -90.86 -46.85 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 110.244 169.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.81 -38.44 67.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.75 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -1.17 9.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -174.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.56 -22.58 63.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.499 1.12 . . . . 0.0 113.07 170.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 127.83 159.74 10.18 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.956 1.741 . . . . 0.0 113.23 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.66 27.48 0.44 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.079 1.352 . . . . 0.0 113.619 -170.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.9 -50.71 65.45 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.063 -1.023 . . . . 0.0 112.014 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.6 -26.29 68.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.379 1.071 . . . . 0.0 113.407 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 46.9 tpp -58.46 -46.8 85.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.449 1.1 . . . . 0.0 110.586 172.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.7 -29.6 65.94 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.426 -0.796 . . . . 0.0 112.605 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.37 -30.52 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.239 1.382 . . . . 0.0 112.506 172.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 87.4 m -73.11 -49.91 25.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.497 1.519 . . . . 0.0 110.863 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 68.8 mt -75.64 -41.83 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.23 -172.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -53.05 -44.44 67.44 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.166 1.348 . . . . 0.0 112.558 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -69.59 -11.8 61.13 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.67 10.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.25 1.02 . . . . 0.0 110.612 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.0 t90 . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 125.349 1.46 . . . . 0.0 112.273 -178.162 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -58.03 -31.42 10.07 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -175.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.61 -43.21 28.09 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.574 2.183 . . . . 0.0 113.021 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.75 -45.14 53.77 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 118.797 0.726 . . . . 0.0 111.385 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -63.3 -33.37 75.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.604 0.761 . . . . 0.0 112.386 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.55 -34.89 60.76 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.562 -0.711 . . . . 0.0 112.351 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.82 78.69 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.375 0.989 . . . . 0.0 112.108 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt -66.51 -25.92 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.319 -0.863 . . . . 0.0 111.817 172.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.43 82.11 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.753 1.168 . . . . 0.0 113.4 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -50.74 71.89 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.143 1.377 . . . . 0.0 109.841 175.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.02 -39.56 86.27 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.393 1.077 . . . . 0.0 112.233 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -64.82 -44.13 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.216 1.371 . . . . 0.0 110.862 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.53 -26.38 71.88 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 119.566 -0.574 . . . . 0.0 113.478 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.9 mt -73.24 -47.58 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.528 1.164 . . . . 0.0 110.831 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -59.01 3.1 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.295 1.038 . . . . 0.0 112.574 -174.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -68.2 -20.66 64.87 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.8 -45.41 74.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.776 1.23 . . . . 0.0 111.483 169.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.07 -40.26 20.11 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -67.7 -53.08 30.49 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.036 0.834 . . . . 0.0 111.802 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.05 46.64 2.67 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.922 1.725 . . . . 0.0 111.369 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 N--CA 1.472 0.668 0 CA-C-N 118.09 0.945 . . . . 0.0 113.002 178.893 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 tttt . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -74.29 51.69 0.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.395 2.278 . . . . 0.0 114.705 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.1 t -142.77 150.95 40.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.113 1.365 . . . . 0.0 111.51 174.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.19 132.73 56.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.111 1.764 . . . . 0.0 110.045 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -77.88 163.3 26.16 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 168.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -54.86 -28.65 51.61 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.485 -1.384 . . . . 0.0 114.2 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -80.87 -42.45 21.49 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 170.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.41 -34.68 77.23 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.294 1.406 . . . . 0.0 111.333 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.33 -48.62 80.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.121 1.768 . . . . 0.0 110.954 170.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -61.5 -35.82 78.75 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.974 -1.079 . . . . 0.0 112.714 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -63.1 -40.21 96.99 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.716 1.144 . . . . 0.0 111.463 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.1 -53.84 53.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.668 0.667 . . . . 0.0 110.52 170.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.15 -42.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 118.519 0.6 . . . . 0.0 111.897 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.74 -33.7 76.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -86.4 -33.72 20.39 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.68 1.127 . . . . 0.0 113.594 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -83.91 -49.24 9.19 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.172 0.589 . . . . 0.0 112.109 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.4 mt -113.39 38.82 2.77 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.244 1.818 . . . . 0.0 110.461 -173.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 127.693 2.397 . . . . 0.0 113.995 -169.723 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.05 -25.99 59.59 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.685 -1.26 . . . . 0.0 112.066 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.07 68.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.024 1.33 . . . . 0.0 113.118 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.49 -35.41 34.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.967 0.907 . . . . 0.0 111.15 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -67.72 -39.04 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.966 0.803 . . . . 0.0 111.573 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 m -65.9 -29.97 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.575 1.08 . . . . 0.0 111.72 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.23 -37.31 61.14 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.274 -0.891 . . . . 0.0 111.946 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 tp -63.76 -41.29 98.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.662 0.664 . . . . 0.0 111.069 173.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.31 -38.28 79.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.137 0.975 . . . . 0.0 112.042 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.32 -38.0 89.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.657 1.117 . . . . 0.0 112.761 172.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -72.9 -24.65 60.86 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.233 0.924 . . . . 0.0 113.185 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.51 -47.45 22.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.964 1.706 . . . . 0.0 111.943 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -21.89 63.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.811 2.045 . . . . 0.0 112.956 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -52.11 -34.95 46.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.6 1.56 . . . . 0.0 112.712 170.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.64 -35.84 65.34 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.874 0.869 . . . . 0.0 112.163 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -166.41 129.57 1.97 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.561 1.944 . . . . 0.0 110.436 171.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.86 137.74 43.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.246 1.019 . . . . 0.0 113.105 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 76.88 -43.36 0.44 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.362 3.065 . . . . 0.0 112.837 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -133.58 117.15 16.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.985 1.714 . . . . 0.0 110.079 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.2 t -101.33 104.62 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.332 1.853 . . . . 0.0 108.688 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -78.79 164.87 24.17 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.853 0.835 . . . . 0.0 110.616 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -32.44 68.94 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -170.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -61.2 -49.52 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 119.015 -0.516 . . . . 0.0 111.111 174.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -69.32 -34.34 74.51 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.217 1.007 . . . . 0.0 112.161 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.23 -46.42 89.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.982 0.513 . . . . 0.0 111.592 173.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -74.03 -31.05 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.222 -0.924 . . . . 0.0 111.565 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -58.37 -44.74 89.0 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.023 0.829 . . . . 0.0 110.732 171.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.11 -37.9 88.94 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.472 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.07 -29.01 69.86 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 174.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.91 84.4 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 118.633 0.651 . . . . 0.0 112.298 170.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.22 88.9 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 117.831 0.815 . . . . 0.0 112.712 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.02 -43.89 97.49 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.77 1.628 . . . . 0.0 111.138 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.58 75.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.693 0.797 . . . . 0.0 112.084 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.1 mtp -68.1 -18.5 64.67 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.84 -37.39 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.222 1.374 . . . . 0.0 110.138 169.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -78.97 51.66 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.652 1.581 . . . . 0.0 113.007 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -43.91 -38.58 3.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.08 2.152 . . . . 0.0 115.644 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.93 -29.82 70.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.26 0.937 . . . . 0.0 113.262 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.92 78.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.377 1.471 . . . . 0.0 112.397 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -67.22 -50.07 62.16 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.607 1.163 . . . . 0.0 111.111 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -84.5 -25.05 29.11 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 C-N-CA 126.056 1.789 . . . . 0.0 114.511 175.836 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.516 0.198 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.18 55.13 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.79 1.636 . . . . 0.0 114.52 -173.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -47.27 88.92 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.316 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -53.02 -38.95 80.79 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.932 3.088 . . . . 0.0 114.632 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -73.63 -42.76 61.01 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.455 1.025 . . . . 0.0 111.842 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.84 -40.16 87.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.354 1.462 . . . . 0.0 112.433 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -73.74 -18.8 60.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -50.05 10.85 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 111.62 172.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.2 pt -65.59 -29.24 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 O-C-N 121.019 -1.051 . . . . 0.0 111.738 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.754 1.169 . . . . 0.0 113.32 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.87 66.93 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.797 1.298 . . . . 0.0 109.744 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -40.26 84.63 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.419 1.088 . . . . 0.0 111.279 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.34 -49.22 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.692 0.797 . . . . 0.0 111.433 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.3 73.31 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.208 0.909 . . . . 0.0 113.635 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.11 -50.27 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.67 1.188 . . . . 0.0 111.448 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -70.17 -55.9 8.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.844 1.202 . . . . 0.0 113.201 -171.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -68.37 -22.25 64.66 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.25 -41.87 76.46 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.709 1.603 . . . . 0.0 112.418 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -80.97 -31.18 34.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.412 1.085 . . . . 0.0 112.652 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.8 m -58.91 -45.85 89.3 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.901 -1.125 . . . . 0.0 112.319 173.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.3 -13.06 61.93 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.092 0.854 . . . . 0.0 114.197 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -72.58 -32.52 66.07 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.65 1.225 . . . . 0.0 112.595 176.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -104.28 -8.31 19.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.684 1.194 . . . . 0.0 113.13 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.59 17.24 34.08 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.975 1.274 . . . . 0.0 114.25 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -79.97 146.32 32.12 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.611 1.164 . . . . 0.0 112.177 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -75.87 -39.61 56.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.157 0.983 . . . . 0.0 112.907 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -167.79 39.07 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.507 1.923 . . . . 0.0 112.979 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -140.73 154.84 46.49 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.541 1.936 . . . . 0.0 109.75 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.4 143.05 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.338 1.455 . . . . 0.0 110.053 169.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.9 p -77.02 159.85 29.58 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.385 -0.822 . . . . 0.0 109.928 169.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -55.49 -31.5 62.07 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.548 -1.345 . . . . 0.0 113.266 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 tmpt? -76.64 -42.73 40.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.511 1.124 . . . . 0.0 112.472 173.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -70.48 -31.91 69.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.911 -1.118 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.403 HD11 HD13 ' B' ' 60' ' ' LEU . 2.5 tm? -61.35 -51.77 67.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.612 1.565 . . . . 0.0 111.088 169.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.081 -1.012 . . . . 0.0 112.058 176.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.1 -44.55 95.38 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.995 0.816 . . . . 0.0 112.029 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.81 -49.03 76.59 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.011 0.823 . . . . 0.0 110.69 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.07 -50.28 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.07 0.85 . . . . 0.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -59.42 -39.72 84.41 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 112.344 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -85.86 -38.42 18.11 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -84.88 -47.82 9.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.328 0.967 . . . . 0.0 112.5 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.5 mt -87.38 55.9 3.72 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 130.584 3.554 . . . . 0.0 113.298 -169.18 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.37 -25.22 67.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.41 68.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.559 0.744 . . . . 0.0 112.336 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.73 -37.22 30.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.618 0.767 . . . . 0.0 110.664 170.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.2 mm -65.43 -38.99 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-O 117.825 -1.083 . . . . 0.0 112.025 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -66.55 -28.51 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 120.416 1.462 . . . . 0.0 112.413 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -74.45 -33.97 63.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.316 0.962 . . . . 0.0 112.478 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.78 -37.3 76.31 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.032 -1.043 . . . . 0.0 111.903 171.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -61.44 -40.48 94.62 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.367 1.067 . . . . 0.0 111.577 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.46 -34.13 77.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.5 1.12 . . . . 0.0 112.587 172.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.83 -17.96 52.01 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.149 -0.969 . . . . 0.0 113.395 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.403 HD13 HD11 ' B' ' 34' ' ' LEU . 3.0 mt -80.65 -42.69 21.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.091 1.356 . . . . 0.0 110.209 169.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.49 -30.09 69.49 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.186 1.794 . . . . 0.0 112.533 169.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.01 -29.78 70.51 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.799 1.24 . . . . 0.0 111.81 171.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -81.49 -28.17 34.2 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.71 123.16 3.64 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.452 1.501 . . . . 0.0 112.636 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.79 132.93 49.09 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.396 1.478 . . . . 0.0 114.276 -171.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 76.77 -37.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 129.563 3.145 . . . . 0.0 113.548 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -153.85 128.72 9.49 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.873 1.669 . . . . 0.0 109.994 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.33 118.14 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.085 1.754 . . . . 0.0 109.368 -170.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.35 151.66 30.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.849 1.26 . . . . 0.0 110.855 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -51.32 -39.98 58.09 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -62.02 -43.95 97.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 111.548 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -72.97 -29.53 63.14 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.765 1.226 . . . . 0.0 111.58 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -64.78 -46.14 83.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.987 0.915 . . . . 0.0 110.824 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.39 -35.61 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.203 -0.935 . . . . 0.0 111.912 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.8 m -58.94 -45.53 90.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.571 1.149 . . . . 0.0 110.409 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -64.02 -42.14 97.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.264 0.626 . . . . 0.0 112.26 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.12 -26.23 68.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.378 0.99 . . . . 0.0 112.453 173.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.16 94.49 Favored Glycine 0 N--CA 1.468 0.827 0 C-N-CA 124.324 0.964 . . . . 0.0 112.316 170.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.2 95.1 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 117.943 0.872 . . . . 0.0 112.021 170.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.4 -44.65 92.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.214 1.006 . . . . 0.0 111.697 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.2 96.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.185 0.994 . . . . 0.0 111.754 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.2 ttp -66.74 -31.7 72.52 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.16 -21.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.873 0.869 . . . . 0.0 112.446 171.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -75.87 43.63 0.28 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.259 0.936 . . . . 0.0 112.602 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -44.94 -26.81 0.46 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.933 2.493 . . . . 0.0 116.503 -173.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.99 -32.7 68.14 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 121.428 1.922 . . . . 0.0 112.896 173.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.3 -16.94 62.48 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.302 1.441 . . . . 0.0 113.607 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 73.0 mt -101.57 -10.86 19.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.156 2.182 . . . . 0.0 112.648 176.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt . . . . . 0 N--CA 1.473 0.683 0 C-N-CA 125.117 1.367 . . . . 0.0 112.285 174.828 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.199 0 CA-C-O 119.126 -0.819 . . . . 0.0 115.123 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.99 -33.56 62.66 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.069 1.348 . . . . 0.0 112.601 174.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.32 4.54 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 125.275 1.43 . . . . 0.0 113.734 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -76.18 -13.29 60.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.515 1.052 . . . . 0.0 113.838 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.45 -30.81 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.508 1.523 . . . . 0.0 109.609 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.73 -33.62 60.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.048 2.139 . . . . 0.0 111.273 171.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.95 -34.49 55.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.83 1.652 . . . . 0.0 112.363 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -52.72 -33.7 49.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.539 1.136 . . . . 0.0 112.433 175.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.98 -35.66 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.26 1.824 . . . . 0.0 111.877 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.84 -40.18 83.45 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.941 -1.099 . . . . 0.0 112.156 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -76.06 -1.24 24.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -92.01 -47.18 7.42 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.78 0.832 . . . . 0.0 110.786 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 67.62 -169.98 36.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.166 1.365 . . . . 0.0 114.376 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -165.33 149.73 8.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.822 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -83.12 -27.14 30.37 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.21 1.404 . . . . 0.0 114.376 -175.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.65 -21.52 19.98 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.309 0.959 . . . . 0.0 113.532 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 44.7 ttm -50.25 -62.95 1.28 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.61 1.164 . . . . 0.0 110.775 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -57.39 -32.52 66.9 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.671 1.189 . . . . 0.0 113.753 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -71.76 -38.31 70.39 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.769 0.827 . . . . 0.0 111.676 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 210' ' ' THR . . . . . 0.471 HG23 ' HE2' ' C' ' 213' ' ' LYS . 51.2 m -82.34 -34.48 28.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.235 1.414 . . . . 0.0 112.829 -178.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.68 -47.54 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.0 0.818 . . . . 0.0 109.101 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.43 -48.95 78.84 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 213' ' ' LYS . . . . . 0.471 ' HE2' HG23 ' C' ' 210' ' ' THR . 11.1 pttt -63.04 -39.31 94.37 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.752 -1.218 . . . . 0.0 112.227 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.63 -31.07 71.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.685 1.194 . . . . 0.0 113.535 174.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 6.4 m95 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 123.627 0.771 . . . . 0.0 111.527 169.592 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 N-CA-C 115.465 0.946 . . . . 0.0 115.465 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.49 -48.4 77.22 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 1.141 . . . . 0.0 111.914 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -62.47 -29.15 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.939 1.295 . . . . 0.0 113.105 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -71.63 -18.12 62.22 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.18 -44.3 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.125 1.37 . . . . 0.0 110.01 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.52 -32.89 74.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.021 1.328 . . . . 0.0 112.646 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -64.41 -25.77 68.16 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.177 -0.952 . . . . 0.0 112.958 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -67.35 -19.08 65.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.71 0.804 . . . . 0.0 112.92 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.0 mt -86.77 -46.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.631 1.172 . . . . 0.0 110.073 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.94 -38.26 72.67 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.77 -1.54 9.51 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.54 -19.16 60.98 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.368 1.067 . . . . 0.0 112.962 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 123.39 168.55 13.06 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.312 1.91 . . . . 0.0 113.511 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -160.42 131.75 5.78 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.43 1.492 . . . . 0.0 111.628 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -154.66 -38.48 0.09 Allowed 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -71.92 -25.79 62.04 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.537 1.517 . . . . 0.0 113.662 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 13.7 mmt -55.31 -43.77 75.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.118 0.961 . . . . 0.0 109.663 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -75.28 -17.85 60.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.729 1.612 . . . . 0.0 112.108 -173.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -83.05 -45.24 14.26 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.799 0.84 . . . . 0.0 110.685 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 62.0 m -65.72 -51.56 58.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.908 1.683 . . . . 0.0 111.722 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.11 -35.95 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.337 1.055 . . . . 0.0 110.662 -172.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -57.24 -54.41 47.1 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.632 0.651 . . . . 0.0 111.254 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -63.33 -40.37 97.13 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.203 0.91 . . . . 0.0 111.929 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.79 -30.77 71.83 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.2 m95 . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 123.587 0.755 . . . . 0.0 112.284 169.892 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -54.87 -46.93 99.42 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.14 -29.63 39.31 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.948 1.766 . . . . 0.0 113.417 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.8 -43.96 43.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.12 1.327 . . . . 0.0 111.279 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.77 -35.35 80.32 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.477 1.111 . . . . 0.0 111.954 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.36 -33.07 69.23 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 119.158 -0.448 . . . . 0.0 112.159 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.79 59.59 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.87 1.214 . . . . 0.0 112.597 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.5 pt -64.36 -33.65 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.109 0.868 . . . . 0.0 111.091 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -27.15 72.66 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.744 1.164 . . . . 0.0 113.468 173.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -52.82 56.59 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.965 1.306 . . . . 0.0 109.994 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.03 -41.25 91.82 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.146 0.979 . . . . 0.0 111.891 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.78 -42.68 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.268 0.486 . . . . 0.0 110.274 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.03 -37.57 73.57 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.35 0.976 . . . . 0.0 113.116 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mt -64.78 -39.67 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.679 0.792 . . . . 0.0 111.522 172.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.01 -58.75 3.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.601 1.16 . . . . 0.0 113.219 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.23 -23.21 64.78 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -66.48 -28.5 68.63 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -81.1 -38.88 26.55 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.251 1.02 . . . . 0.0 113.407 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -58.44 -14.61 8.14 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 -172.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.54 -8.23 86.42 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.778 -1.012 . . . . 0.0 114.835 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt . . . . . 0 CA--C 1.543 0.707 0 CA-C-N 119.488 1.644 . . . . 0.0 112.387 177.355 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -140.58 21.19 2.36 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 t -151.93 143.65 23.63 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.21 -0.931 . . . . 0.0 113.038 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.61 151.67 24.06 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.453 1.901 . . . . 0.0 110.756 172.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -79.64 159.1 26.88 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 109.21 167.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -61.73 -35.1 77.1 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 119.825 -1.797 . . . . 0.0 112.851 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.78 -38.71 64.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.958 1.303 . . . . 0.0 112.616 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.46 -40.85 96.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.705 1.202 . . . . 0.0 110.946 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.08 -42.87 99.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.222 1.409 . . . . 0.0 110.495 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -58.15 -34.2 70.01 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.382 -1.449 . . . . 0.0 111.73 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -72.22 -37.93 69.1 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.379 1.071 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.0 -53.53 54.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.985 0.914 . . . . 0.0 109.625 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -58.71 -48.34 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.427 0.691 . . . . 0.0 112.002 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.91 -31.68 72.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.566 -0.73 . . . . 0.0 112.371 -175.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.9 -45.9 11.08 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.446 1.021 . . . . 0.0 113.273 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.56 -47.96 10.04 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.084 0.553 . . . . 0.0 111.746 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -84.62 -49.49 8.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.162 -0.923 . . . . 0.0 109.564 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.26 0 C-N-CA 130.844 3.658 . . . . 0.0 112.509 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.78 -33.01 72.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.784 -1.197 . . . . 0.0 112.579 -172.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.27 68.16 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.398 1.479 . . . . 0.0 112.979 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -80.6 -38.12 29.95 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.383 1.073 . . . . 0.0 110.883 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.84 -40.07 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.236 -0.915 . . . . 0.0 112.006 176.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HA ' ' HG2' ' A' ' 57' ' ' MET . 30.0 m -66.12 -28.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.031 0.832 . . . . 0.0 112.664 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.53 -38.01 59.66 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.27 0.486 . . . . 0.0 111.84 169.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.43 -47.22 84.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.337 -0.852 . . . . 0.0 111.361 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 14.7 ptt? -67.93 -30.05 69.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.541 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.37 -33.13 71.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.421 1.088 . . . . 0.0 112.588 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -72.39 -26.52 61.91 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.254 1.022 . . . . 0.0 112.355 172.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.83 -42.3 24.6 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.298 1.439 . . . . 0.0 112.225 170.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.91 -4.4 12.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.175 2.19 . . . . 0.0 113.022 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -57.06 -19.47 19.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.245 1.418 . . . . 0.0 113.016 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.39 -45.04 84.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.196 0.999 . . . . 0.0 113.055 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -174.59 141.28 0.65 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.616 2.766 . . . . 0.0 109.655 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -52.92 -0.14 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.996 2.918 . . . . 0.0 118.365 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -125.98 -10.48 6.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.892 1.677 . . . . 0.0 114.025 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -160.18 159.35 31.51 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -169.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.9 t -116.88 100.3 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 127.291 2.236 . . . . 0.0 107.618 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.82 147.29 35.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.13 0.572 . . . . 0.0 111.475 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -53.06 -42.78 66.14 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.653 1.181 . . . . 0.0 114.008 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.16 -39.07 93.61 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.67 0.668 . . . . 0.0 111.723 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.97 -39.26 72.63 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.601 0.76 . . . . 0.0 111.223 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -58.66 -44.58 90.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.352 1.061 . . . . 0.0 112.049 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.3 mm -65.59 -44.54 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.106 0.866 . . . . 0.0 111.19 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.9 m -57.97 -43.81 86.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.152 0.981 . . . . 0.0 111.305 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -67.76 -36.5 80.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.05 1.74 . . . . 0.0 112.686 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.97 -27.36 68.09 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.907 0.776 . . . . 0.0 111.495 169.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.23 -33.4 68.92 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.629 1.109 . . . . 0.0 112.205 169.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.79 76.32 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.104 0.952 . . . . 0.0 111.354 171.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.95 -47.19 78.05 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.148 0.886 . . . . 0.0 110.884 170.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.63 80.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.348 1.059 . . . . 0.0 113.433 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -70.6 -39.03 74.03 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.811 1.244 . . . . 0.0 112.403 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.29 -31.3 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.918 1.287 . . . . 0.0 111.044 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -76.26 45.35 0.37 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.005 1.722 . . . . 0.0 110.799 169.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.49 -20.62 8.06 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 117.726 2.491 . . . . 0.0 117.726 -168.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.73 -25.86 68.4 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.827 2.103 . . . . 0.0 112.065 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.03 -23.07 66.48 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.175 0.99 . . . . 0.0 113.506 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -97.21 1.37 49.67 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.203 1.801 . . . . 0.0 112.037 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -100.82 17.43 22.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.526 1.53 . . . . 0.0 113.041 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 C-N-CA 125.965 1.745 . . . . 0.0 114.613 177.772 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.13 46.85 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -50.25 -41.75 68.23 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -171.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.37 -33.05 71.4 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.332 2.688 . . . . 0.0 113.143 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.4 tp -76.6 -42.99 40.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.36 0.527 . . . . 0.0 110.507 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -59.28 -40.27 85.56 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.949 . . . . 0.0 112.323 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -72.97 -24.31 60.76 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.52 -46.13 17.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.335 0.97 . . . . 0.0 112.189 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -62.33 -34.91 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.524 1.056 . . . . 0.0 110.348 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -23.97 68.67 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 125.39 1.471 . . . . 0.0 114.112 172.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -52.07 29.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.353 1.077 . . . . 0.0 110.224 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.81 -41.92 87.93 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.457 1.103 . . . . 0.0 111.585 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.33 -42.65 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.666 0.667 . . . . 0.0 110.648 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.86 -45.66 81.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.96 0.791 . . . . 0.0 113.028 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -60.41 -45.6 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.194 0.998 . . . . 0.0 111.261 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.97 -52.17 38.98 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.66 0.784 . . . . 0.0 112.373 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -72.04 -26.34 62.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.72 -38.79 67.51 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.791 0.836 . . . . 0.0 111.045 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -83.58 -43.79 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.5 p -67.59 -37.1 82.09 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.739 1.608 . . . . 0.0 112.687 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.7 0.66 89.25 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.839 1.209 . . . . 0.0 114.151 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -32.47 74.19 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.418 1.609 . . . . 0.0 113.435 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.81 4.13 42.62 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.696 1.198 . . . . 0.0 112.947 172.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 15.41 76.96 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.696 1.141 . . . . 0.0 114.51 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.38 -159.4 0.48 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -76.23 -175.54 3.22 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.668 1.987 . . . . 0.0 112.922 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -76.55 49.57 0.62 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.084 1.754 . . . . 0.0 112.454 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -137.82 153.75 49.6 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.976 1.71 . . . . 0.0 111.588 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -126.4 142.09 51.66 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.785 1.234 . . . . 0.0 110.733 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.1 p -79.27 159.67 27.16 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.374 -0.829 . . . . 0.0 109.171 168.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.27 -27.46 67.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.403 -1.435 . . . . 0.0 113.103 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -76.55 -42.12 44.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.151 1.38 . . . . 0.0 113.076 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.13 -32.87 72.55 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.92 -1.112 . . . . 0.0 111.53 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.5 tm? -62.41 -44.73 95.73 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.469 1.108 . . . . 0.0 109.929 169.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -58.48 -35.97 73.03 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.191 -0.943 . . . . 0.0 111.845 173.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.71 -43.51 88.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.726 0.81 . . . . 0.0 111.95 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.6 -52.53 61.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.298 1.039 . . . . 0.0 110.432 169.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -65.38 -46.4 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 118.606 -0.711 . . . . 0.0 112.451 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.18 -12.15 61.05 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.886 1.221 . . . . 0.0 112.899 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -85.56 -53.53 5.12 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.778 1.172 . . . . 0.0 111.2 169.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -78.77 -48.78 14.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.04 0.536 . . . . 0.0 112.423 -173.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.3 34.73 2.1 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.222 1.809 . . . . 0.0 110.204 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.469 0.521 0 C-N-CA 127.037 2.135 . . . . 0.0 112.521 -174.71 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -21.71 66.45 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.204 -1.56 . . . . 0.0 113.047 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.22 -30.67 71.26 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.842 1.257 . . . . 0.0 112.351 169.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.72 -29.83 32.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.229 1.012 . . . . 0.0 110.873 171.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.5 mm -70.41 -39.0 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.103 -0.998 . . . . 0.0 111.943 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.98 -23.57 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.303 0.956 . . . . 0.0 112.359 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -78.39 -40.47 36.0 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.189 169.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.45 -46.31 80.41 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.715 1.143 . . . . 0.0 111.983 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -25.69 65.82 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.207 0.912 . . . . 0.0 112.47 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.87 -31.78 51.56 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.75 1.22 . . . . 0.0 113.03 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.36 -29.45 66.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.66 1.184 . . . . 0.0 111.746 170.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.21 -45.94 62.27 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.573 1.149 . . . . 0.0 110.537 168.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.89 -15.78 45.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.0 1.72 . . . . 0.0 113.741 174.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -59.35 -29.38 67.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 112.306 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -77.66 -36.8 51.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.038 0.935 . . . . 0.0 112.87 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -159.04 129.77 6.02 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.283 1.833 . . . . 0.0 110.663 169.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.58 136.88 39.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.467 1.107 . . . . 0.0 113.455 -169.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 76.32 -36.6 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 129.813 3.245 . . . . 0.0 111.996 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -139.05 126.25 21.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.605 1.962 . . . . 0.0 109.731 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 52.2 t -105.86 128.53 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.835 2.054 . . . . 0.0 108.779 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.78 155.17 24.37 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.932 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -44.55 -46.09 9.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.616 1.566 . . . . 0.0 114.866 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -62.71 -38.43 90.39 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.127 -0.983 . . . . 0.0 111.68 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -75.67 -33.11 60.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.502 1.121 . . . . 0.0 111.363 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -63.09 -44.41 95.78 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.928 0.891 . . . . 0.0 111.63 171.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.05 -43.13 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.068 -1.02 . . . . 0.0 110.676 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.5 m -57.31 -45.41 84.25 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.074 0.949 . . . . 0.0 110.983 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.36 -36.41 79.18 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.654 0.782 . . . . 0.0 112.65 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.29 -26.26 68.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.058 1.299 . . . . 0.0 111.58 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.1 -38.09 83.11 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 118.884 0.765 . . . . 0.0 112.309 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.26 86.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.446 1.123 . . . . 0.0 111.769 170.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.49 -42.29 91.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.091 1.356 . . . . 0.0 111.441 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.43 -31.95 69.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.692 1.197 . . . . 0.0 112.902 172.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 84.4 mtp -74.43 -24.8 59.13 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 28.3 mm -66.55 -33.04 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 120.185 1.357 . . . . 0.0 111.527 169.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -72.62 55.1 0.36 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.908 1.283 . . . . 0.0 112.719 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -47.6 -38.79 15.26 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.337 2.255 . . . . 0.0 115.008 -170.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.74 -30.81 71.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.899 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.05 -24.59 66.0 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.97 -1.081 . . . . 0.0 112.313 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.5 mt -100.53 15.4 28.11 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.272 2.229 . . . . 0.0 112.164 172.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 125.584 1.554 . . . . 0.0 111.029 169.821 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 113.593 0.197 . . . . 0.0 113.593 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.49 -36.19 61.42 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.773 1.229 . . . . 0.0 113.246 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -57.4 -31.89 66.28 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.688 1.195 . . . . 0.0 112.517 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -78.7 -16.43 57.27 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 48.4 t -88.13 -37.49 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 125.123 1.369 . . . . 0.0 109.497 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.17 -28.48 65.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.589 1.956 . . . . 0.0 112.406 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -54.07 -34.07 59.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.927 1.291 . . . . 0.0 112.428 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -21.91 66.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.426 1.091 . . . . 0.0 112.803 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.65 -43.93 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.243 1.417 . . . . 0.0 110.112 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -52.42 -43.53 64.87 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.064 0.946 . . . . 0.0 112.545 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.65 -5.09 46.43 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -86.71 -22.2 26.18 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.156 0.982 . . . . 0.0 112.717 175.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 149.73 160.06 9.01 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.899 1.237 . . . . 0.0 114.742 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -159.49 37.17 0.2 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.665 1.986 . . . . 0.0 111.072 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.88 -30.52 69.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.21 1.404 . . . . 0.0 114.671 -170.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -82.28 -15.13 54.09 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.72 -47.04 76.69 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.977 1.262 . . . . 0.0 109.593 169.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -54.46 -35.53 63.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.954 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -80.85 -47.11 14.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.727 1.611 . . . . 0.0 112.713 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 9.9 m -83.26 -35.88 24.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.664 0.786 . . . . 0.0 112.729 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.63 -38.18 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.727 0.694 . . . . 0.0 110.593 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.05 -54.63 38.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.491 0.716 . . . . 0.0 111.403 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.06 -47.65 77.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.919 -1.113 . . . . 0.0 113.028 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.59 71.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 43.1 t90 . . . . . 0 CA--C 1.539 0.551 0 CA-C-N 118.735 0.698 . . . . 0.0 111.579 170.051 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.899 0 CA-C-O 120.069 -0.295 . . . . 0.0 113.408 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.72 -33.91 70.75 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.551 1.141 . . . . 0.0 113.06 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.7 ptp -57.19 -30.0 64.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.735 1.214 . . . . 0.0 113.856 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.12 -19.65 64.85 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.043 -1.035 . . . . 0.0 113.22 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.16 -45.61 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.226 1.411 . . . . 0.0 110.036 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.97 -30.74 67.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.769 1.227 . . . . 0.0 113.248 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -59.01 -34.57 72.03 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.97 0.804 . . . . 0.0 111.472 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -63.29 -21.69 66.41 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 30.5 mm -81.65 -32.35 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.72 1.208 . . . . 0.0 111.303 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -74.7 -34.68 62.66 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.327 -0.858 . . . . 0.0 111.352 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -73.15 -1.58 18.12 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.753 1.621 . . . . 0.0 113.855 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.29 -13.35 55.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.967 1.307 . . . . 0.0 112.688 170.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 122.51 153.99 8.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.254 1.883 . . . . 0.0 113.273 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -166.18 139.89 4.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.952 1.701 . . . . 0.0 111.057 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -143.19 -55.53 0.4 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.321 1.049 . . . . 0.0 112.711 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.53 -25.83 68.43 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 33.5 tpp -58.3 -51.88 67.94 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.17 0.588 . . . . 0.0 110.981 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . 0.294 0.0 OUTLIER -69.87 -18.41 63.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.669 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.38 -36.04 63.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.112 1.323 . . . . 0.0 112.015 169.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.4 m -73.18 -52.33 14.53 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.812 1.645 . . . . 0.0 111.091 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.41 -39.42 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 122.818 0.447 . . . . 0.0 111.752 -173.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -58.16 -57.4 13.03 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.402 -0.811 . . . . 0.0 111.457 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.99 -37.43 82.43 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.41 -0.806 . . . . 0.0 112.621 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.94 -20.19 61.79 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 4.2 t90 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 124.141 0.976 . . . . 0.0 111.571 169.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -39.02 -47.92 3.88 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -169.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.35 -39.63 21.86 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.418 2.078 . . . . 0.0 113.898 -174.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -81.66 -38.52 25.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.854 0.461 . . . . 0.0 111.634 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.24 -37.36 74.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.749 1.22 . . . . 0.0 112.994 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -71.41 -30.49 66.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.673 -0.642 . . . . 0.0 112.71 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.33 46.64 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.471 1.032 . . . . 0.0 112.465 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 pt -64.54 -36.02 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.474 1.034 . . . . 0.0 110.85 170.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -28.89 64.64 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.002 1.287 . . . . 0.0 113.521 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -55.64 16.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.135 0.974 . . . . 0.0 110.598 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.46 -42.18 82.05 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.816 1.246 . . . . 0.0 111.634 176.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.535 HD11 ' HB1' ' B' ' 81' ' ' ALA . 57.0 mt -62.89 -45.54 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.303 178.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.67 -36.03 62.18 Favored Glycine 0 N--CA 1.469 0.843 0 C-N-CA 123.457 0.551 . . . . 0.0 113.097 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 mt -63.52 -43.24 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.792 0.837 . . . . 0.0 111.048 172.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -71.92 -55.59 7.21 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.711 0.804 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -67.34 -24.28 65.7 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -70.39 -28.91 65.45 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.369 -0.832 . . . . 0.0 112.88 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -81.96 -22.57 36.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -61.01 -17.01 49.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 0.69 70.87 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.633 1.111 . . . . 0.0 115.11 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 N--CA 1.472 0.651 0 CA-C-N 119.639 1.719 . . . . 0.0 113.113 -178.565 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -127.56 22.45 6.42 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.29 175.26 7.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.575 1.55 . . . . 0.0 111.322 175.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 mt -134.67 130.87 37.0 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.533 1.133 . . . . 0.0 109.923 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.2 t -76.8 152.34 35.58 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.687 -0.633 . . . . 0.0 109.972 169.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.49 -32.36 68.72 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 119.663 -1.898 . . . . 0.0 113.592 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -67.49 -46.1 73.93 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.533 1.533 . . . . 0.0 112.329 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.11 -35.93 82.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.645 1.978 . . . . 0.0 111.291 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.86 -42.88 84.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.703 1.601 . . . . 0.0 110.757 169.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -59.39 -39.53 83.67 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.544 -1.348 . . . . 0.0 111.89 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.52 -43.83 98.16 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.422 0.689 . . . . 0.0 111.985 173.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.24 -55.8 27.22 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.982 0.81 . . . . 0.0 110.57 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.96 -46.1 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.891 0.769 . . . . 0.0 111.608 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -73.73 -20.95 60.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.592 1.087 . . . . 0.0 113.871 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -87.9 -45.35 10.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.333 1.424 . . . . 0.0 114.415 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.04 -48.35 11.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.738 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -83.27 -64.45 1.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.474 0.727 0 C-N-CA 130.561 3.544 . . . . 0.0 112.404 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.73 -26.64 64.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 120.588 1.54 . . . . 0.0 112.133 169.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.63 70.1 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.029 0.932 . . . . 0.0 112.602 170.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.93 -33.12 30.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.396 1.078 . . . . 0.0 111.059 170.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.17 -42.14 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 119.151 0.887 . . . . 0.0 112.109 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.87 -24.84 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.38 0.991 . . . . 0.0 112.116 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -79.08 -35.23 42.77 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.196 0.907 . . . . 0.0 111.831 169.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.04 -39.39 93.28 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.583 1.083 . . . . 0.0 112.363 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -27.59 68.29 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.602 1.092 . . . . 0.0 112.208 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.06 -25.13 47.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -74.26 -37.91 63.6 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.706 1.203 . . . . 0.0 111.825 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.26 -38.1 87.99 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.263 1.025 . . . . 0.0 110.722 169.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -80.36 -6.76 58.51 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.17 66.75 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.638 -1.289 . . . . 0.0 112.197 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.2 -15.04 59.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 112.664 170.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -118.82 -143.72 0.36 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.539 2.336 . . . . 0.0 111.893 -169.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -158.68 1.16 0.09 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 175.01 -41.98 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.098 2.559 . . . . 0.0 111.121 -174.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -147.24 147.89 30.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.039 1.336 . . . . 0.0 112.131 -169.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.85 128.7 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.01 2.124 . . . . 0.0 110.911 -172.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -79.3 156.93 27.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.587 1.155 . . . . 0.0 111.367 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -48.38 -40.92 27.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.44 -38.22 84.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.17 -0.956 . . . . 0.0 111.846 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.92 -33.63 64.03 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.511 0.724 . . . . 0.0 111.993 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.1 -40.15 92.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.132 0.973 . . . . 0.0 111.49 170.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mm -63.68 -48.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.643 0.777 . . . . 0.0 111.348 171.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.9 m -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.326 0.966 . . . . 0.0 111.848 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -67.37 -39.6 85.7 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.033 0.933 . . . . 0.0 112.317 175.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.0 mt -65.94 -27.51 68.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.61 1.096 . . . . 0.0 111.605 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.77 85.09 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.913 0.768 . . . . 0.0 112.164 169.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.77 50.59 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.189 0.994 . . . . 0.0 110.962 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -53.64 -44.25 69.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.95 1.3 . . . . 0.0 111.418 178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -60.18 -32.18 70.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.134 1.373 . . . . 0.0 113.093 174.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.4 ttt -79.71 -32.61 41.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.125 0.97 . . . . 0.0 112.853 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.24 -31.67 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.306 0.957 . . . . 0.0 110.452 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -71.56 45.84 0.11 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.697 1.999 . . . . 0.0 111.998 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -53.66 -23.6 11.81 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.904 2.882 . . . . 0.0 117.086 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.29 -23.44 62.86 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.892 1.678 . . . . 0.0 111.933 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.36 69.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.793 0.837 . . . . 0.0 112.592 170.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.64 -38.81 47.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.46 1.104 . . . . 0.0 110.973 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -63.57 -50.44 69.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.213 1.405 . . . . 0.0 111.927 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 C-N-CA 125.253 1.406 . . . . 0.0 113.62 179.037 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.5 tpp . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.27 -21.17 8.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -169.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.36 -48.66 34.46 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -66.35 -37.51 23.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 123.395 2.73 . . . . 0.0 113.448 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 tp -73.96 -42.5 60.41 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.956 0.798 . . . . 0.0 110.676 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.24 -34.64 78.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.79 1.236 . . . . 0.0 112.623 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -74.93 -27.99 60.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 169.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.88 -46.95 27.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.574 1.079 . . . . 0.0 112.2 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.7 pt -63.62 -31.92 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.691 0.678 . . . . 0.0 110.921 170.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.6 -24.65 73.96 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 118.915 -0.936 . . . . 0.0 114.146 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -50.69 53.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.925 1.362 . . . . 0.0 109.939 174.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.95 -41.72 92.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.5 0.72 . . . . 0.0 112.105 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.526 HD11 ' HB1' ' A' ' 81' ' ' ALA . 79.0 mt -67.54 -42.28 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.589 0.632 . . . . 0.0 110.617 175.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.2 -43.18 95.81 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-N 118.595 0.634 . . . . 0.0 112.835 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -59.67 -40.95 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.416 1.086 . . . . 0.0 111.472 173.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -68.25 -47.57 67.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.206 0.602 . . . . 0.0 111.304 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -69.71 -23.0 63.35 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -54.44 -53.5 53.31 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.416 1.007 . . . . 0.0 110.139 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -83.13 -40.43 19.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.788 1.635 . . . . 0.0 114.207 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.9 p -69.42 -37.25 77.36 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.868 -1.145 . . . . 0.0 112.085 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.23 79.21 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.433 1.016 . . . . 0.0 113.86 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -67.34 -35.11 78.72 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.512 1.156 . . . . 0.0 111.914 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.64 -25.69 23.41 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.253 1.021 . . . . 0.0 112.946 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.3 14.13 64.58 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.258 0.932 . . . . 0.0 113.198 -170.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.76 -31.75 57.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.377 1.471 . . . . 0.0 111.952 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttp 68.16 -65.71 0.25 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.107 2.563 . . . . 0.0 115.177 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -108.84 16.43 22.74 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.993 1.317 . . . . 0.0 113.799 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -151.52 164.12 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.365 1.866 . . . . 0.0 111.203 175.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -131.17 138.51 49.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.718 1.607 . . . . 0.0 110.945 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.6 m -80.42 152.96 28.55 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 168.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -53.22 -40.08 64.23 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.537 -1.352 . . . . 0.0 113.69 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -63.5 -34.42 77.74 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -76.67 -36.49 57.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.136 0.974 . . . . 0.0 111.259 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.23 -38.77 90.48 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.926 0.89 . . . . 0.0 109.8 169.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -60.76 -43.59 97.82 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.587 -1.321 . . . . 0.0 112.382 173.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.86 -42.53 98.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.797 0.839 . . . . 0.0 111.494 174.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.96 -55.47 32.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.193 0.997 . . . . 0.0 110.758 172.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.33 -49.51 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.845 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.77 -27.54 68.36 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.004 0.82 . . . . 0.0 113.073 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.54 -43.54 12.63 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -85.5 -29.94 23.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.227 0.921 . . . . 0.0 113.142 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.62 79.95 1.27 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.35 1.46 . . . . 0.0 107.941 170.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.466 0.366 0 C-N-CA 125.742 1.617 . . . . 0.0 112.449 -171.273 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 121.04 0.448 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.91 -26.12 68.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.967 -1.083 . . . . 0.0 112.561 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -26.81 68.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.704 1.201 . . . . 0.0 113.389 169.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -81.66 -37.76 26.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.035 0.934 . . . . 0.0 110.319 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.9 mm -60.05 -44.02 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.414 -0.804 . . . . 0.0 111.788 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -65.09 -32.01 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.059 0.845 . . . . 0.0 112.739 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -74.35 -29.83 61.75 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.781 0.719 . . . . 0.0 111.902 171.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.76 -36.21 81.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.949 -1.094 . . . . 0.0 112.103 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 29.4 mtm -59.06 -42.71 90.97 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.728 1.149 . . . . 0.0 111.397 171.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.35 -27.9 66.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.823 1.249 . . . . 0.0 112.317 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -81.01 -27.45 35.84 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.69 -44.86 69.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.832 0.853 . . . . 0.0 110.124 169.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.89 -5.51 51.23 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.035 1.734 . . . . 0.0 113.857 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -56.58 -28.55 60.5 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.889 -1.132 . . . . 0.0 111.696 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -73.98 -9.68 58.88 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.289 1.436 . . . . 0.0 113.428 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -144.8 -123.53 0.08 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.111 1.764 . . . . 0.0 111.398 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -171.96 1.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -175.51 -49.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 111.286 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.43 145.73 35.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 112.113 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -96.41 96.4 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.066 1.746 . . . . 0.0 106.699 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.03 171.63 14.95 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.916 0.886 . . . . 0.0 110.95 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.15 -56.88 10.37 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.11 -31.5 71.14 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.352 1.433 . . . . 0.0 112.296 -169.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -73.78 -29.01 61.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.11 0.964 . . . . 0.0 112.199 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -65.79 -42.86 90.24 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.474 1.034 . . . . 0.0 110.977 169.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mm -61.89 -47.75 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.274 0.63 . . . . 0.0 110.685 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.4 m -60.91 -41.95 97.12 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.77 1.228 . . . . 0.0 111.473 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.83 -40.17 94.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.763 0.825 . . . . 0.0 112.109 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.18 -22.09 66.64 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.862 0.756 . . . . 0.0 112.195 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.81 54.8 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.437 1.017 . . . . 0.0 112.466 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.91 99.9 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.282 1.041 . . . . 0.0 111.828 172.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.54 -45.38 85.15 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.78 1.232 . . . . 0.0 111.124 173.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -63.34 -37.94 89.23 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.294 1.438 . . . . 0.0 113.545 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 98.1 mtp -68.06 -38.32 82.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.114 0.87 . . . . 0.0 112.747 172.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.5 mt -67.24 -26.66 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.59 0.756 . . . . 0.0 111.055 174.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -75.61 49.26 0.49 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.329 1.451 . . . . 0.0 111.365 169.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -45.14 -31.22 1.34 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.215 2.606 . . . . 0.0 116.875 -169.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.26 -29.18 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.467 1.485 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.31 -22.64 64.7 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.758 -1.214 . . . . 0.0 112.849 173.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.74 21.32 9.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.319 1.848 . . . . 0.0 111.541 173.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt . . . . . 0 CA--C 1.545 0.777 0 C-N-CA 125.158 1.383 . . . . 0.0 112.364 -177.485 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.946 0 CA-C-O 121.034 0.241 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -52.92 -33.46 50.73 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.089 1.356 . . . . 0.0 113.017 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -55.36 -29.24 58.01 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.882 1.273 . . . . 0.0 112.504 -178.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.17 -17.02 63.16 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.64 -38.59 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 125.128 1.371 . . . . 0.0 109.268 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.23 -32.75 74.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.523 1.529 . . . . 0.0 112.004 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.69 -33.54 68.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.788 1.235 . . . . 0.0 112.729 169.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.99 -23.49 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.976 -1.078 . . . . 0.0 112.376 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.54 -37.8 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.956 1.303 . . . . 0.0 110.69 175.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.58 -40.36 87.16 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.464 0.706 . . . . 0.0 111.76 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.31 -0.91 15.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.463 1.505 . . . . 0.0 113.815 173.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.15 2.59 16.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.072 1.749 . . . . 0.0 112.901 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.27 -166.84 37.11 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.233 1.397 . . . . 0.0 113.776 -175.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -139.13 159.76 41.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.747 1.619 . . . . 0.0 111.17 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.51 -4.6 40.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.7 -19.42 58.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.694 1.198 . . . . 0.0 113.91 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 26.0 ptp -58.12 -47.59 82.81 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.146 0.884 . . . . 0.0 110.299 170.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -64.7 -34.7 78.92 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.775 1.63 . . . . 0.0 111.013 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.11 -24.21 65.0 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.606 0.762 . . . . 0.0 112.302 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 29.8 m -94.2 -39.3 10.62 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.606 1.162 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.6 mm -55.48 -43.82 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.571 0.748 . . . . 0.0 110.402 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -55.22 -55.32 32.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.509 0.724 . . . . 0.0 112.11 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -58.3 -43.66 88.18 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.31 -0.869 . . . . 0.0 112.738 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.3 79.25 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.624 0.647 . . . . 0.0 112.66 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 123.644 0.778 . . . . 0.0 111.795 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.153 0 CA-C-O 121.753 0.64 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.16 -30.64 70.52 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.525 1.13 . . . . 0.0 113.371 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -51.5 -33.91 33.55 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.181 1.793 . . . . 0.0 112.827 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.14 -8.64 57.47 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -96.64 -39.02 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.663 1.585 . . . . 0.0 109.072 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.2 -41.23 92.53 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.208 1.803 . . . . 0.0 110.952 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -51.18 -42.51 60.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.595 1.558 . . . . 0.0 112.727 172.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -58.49 -27.55 64.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.765 0.826 . . . . 0.0 113.105 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.5 mm -90.94 -34.96 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.272 1.429 . . . . 0.0 110.468 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -63.05 -38.46 91.27 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.098 -1.002 . . . . 0.0 112.121 172.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.86 -0.29 20.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.263 1.025 . . . . 0.0 113.731 176.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -108.09 -45.94 3.85 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.969 1.308 . . . . 0.0 112.399 170.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -123.69 120.82 4.28 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.646 1.593 . . . . 0.0 113.582 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -175.96 117.95 0.14 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.892 2.477 . . . . 0.0 109.521 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -163.56 -53.72 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.816 0.847 . . . . 0.0 113.116 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.77 -26.04 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.312 -0.867 . . . . 0.0 112.177 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.4 tpp -51.57 -56.06 15.63 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 124.599 1.16 . . . . 0.0 109.594 168.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.5 -35.12 71.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.38 1.072 . . . . 0.0 112.469 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -68.98 -42.09 77.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.62 0.645 . . . . 0.0 111.807 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 22.2 m -73.88 -38.43 64.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.361 1.064 . . . . 0.0 111.756 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.29 -43.53 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.16 -48.07 82.95 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.075 0.852 . . . . 0.0 111.553 172.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -57.58 -45.3 85.41 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.36 -0.838 . . . . 0.0 112.945 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.66 64.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 39.9 t90 . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 123.315 0.646 . . . . 0.0 111.208 175.475 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 118.234 2.679 . . . . 0.0 118.234 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -52.2 -37.23 40.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 N-CA-C 116.922 2.194 . . . . 0.0 116.922 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -66.12 -36.93 27.27 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.064 2.509 . . . . 0.0 113.52 177.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.26 -37.73 28.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.014 0.824 . . . . 0.0 111.895 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.25 -42.51 86.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.133 1.373 . . . . 0.0 111.487 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -69.96 -19.06 63.38 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.69 10.32 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.329 0.968 . . . . 0.0 112.264 171.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 pt -64.69 -32.72 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.274 0.943 . . . . 0.0 112.219 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.75 -23.32 78.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 119.488 -0.618 . . . . 0.0 113.553 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -52.64 62.59 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 1.144 . . . . 0.0 109.66 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.57 -38.59 78.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.599 1.16 . . . . 0.0 111.47 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.42 -51.35 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.755 0.822 . . . . 0.0 112.073 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.16 76.2 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 123.904 0.764 . . . . 0.0 113.348 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mt -75.11 -42.05 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.37 1.068 . . . . 0.0 111.995 169.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -68.62 -57.19 6.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.822 0.849 . . . . 0.0 112.648 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -68.81 -20.35 64.32 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' C' ' 215' ' ' TRP . 35.8 ttmt -59.17 -40.88 86.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.784 1.234 . . . . 0.0 111.197 169.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.34 -25.81 33.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 m -61.8 -41.88 98.31 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.323 1.419 . . . . 0.0 110.739 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.51 -4.69 9.95 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.841 1.686 . . . . 0.0 114.816 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm . . . . . 0 CA--C 1.539 0.529 0 CA-C-N 118.671 1.235 . . . . 0.0 111.788 169.377 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 pttp . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -94.0 24.29 4.37 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.17 1.388 . . . . 0.0 113.289 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.9 t -146.38 148.46 32.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.705 2.002 . . . . 0.0 109.848 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tp -120.3 131.77 55.04 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.739 1.615 . . . . 0.0 110.104 -172.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 t -78.4 151.36 32.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.58 -0.7 . . . . 0.0 111.814 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -60.22 -36.04 76.81 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.398 -2.064 . . . . 0.0 114.054 -171.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -79.84 -29.82 40.22 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.561 -1.337 . . . . 0.0 112.992 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.21 -38.65 91.12 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.646 1.578 . . . . 0.0 110.34 171.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.7 tm? -63.53 -45.1 92.14 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.533 1.933 . . . . 0.0 110.209 169.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -59.17 -36.73 75.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.561 -1.337 . . . . 0.0 111.96 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.69 -42.31 86.67 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.726 0.811 . . . . 0.0 111.81 173.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.06 -53.08 60.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.053 0.941 . . . . 0.0 110.438 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.96 -45.83 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.778 0.717 . . . . 0.0 111.468 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -66.03 -25.02 66.86 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.608 1.095 . . . . 0.0 113.59 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.9 -59.08 2.4 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.405 1.002 . . . . 0.0 113.003 170.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -3.63 58.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -136.14 49.64 2.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.21 2.204 . . . . 0.0 107.274 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 130.009 3.324 . . . . 0.0 113.487 -169.741 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.57 -24.96 64.17 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.018 -1.051 . . . . 0.0 113.219 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.04 -29.56 69.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.384 1.074 . . . . 0.0 112.767 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -81.25 -33.02 33.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.688 0.795 . . . . 0.0 110.509 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.1 -42.38 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.22 -0.925 . . . . 0.0 112.114 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -64.32 -30.34 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 120.364 1.438 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -76.53 -35.99 57.97 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.089 0.859 . . . . 0.0 112.995 171.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.57 -34.24 77.45 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.175 -0.953 . . . . 0.0 111.928 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 ttp -60.11 -41.64 93.0 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.199 1.4 . . . . 0.0 111.21 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.25 -37.18 86.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.363 1.065 . . . . 0.0 112.541 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -72.91 -17.76 61.48 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 172.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -81.3 -46.69 14.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.766 1.227 . . . . 0.0 110.62 169.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.09 -22.77 61.34 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.51 1.524 . . . . 0.0 113.066 170.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -59.37 -22.97 62.14 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 113.162 172.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -73.32 -45.59 54.48 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.57 -0.706 . . . . 0.0 111.885 173.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -161.59 137.13 7.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.589 1.556 . . . . 0.0 112.379 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.98 126.85 28.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.623 1.569 . . . . 0.0 113.504 -173.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 74.26 -44.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 129.399 3.08 . . . . 0.0 113.447 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.24 139.19 50.8 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.363 1.065 . . . . 0.0 111.962 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.11 126.08 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 127.346 2.258 . . . . 0.0 109.007 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -76.84 154.61 33.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.806 -0.559 . . . . 0.0 110.85 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -46.85 -46.05 20.67 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.91 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.087 -1.008 . . . . 0.0 111.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.48 -34.35 72.28 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.631 1.172 . . . . 0.0 111.567 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.35 -44.66 87.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.686 1.594 . . . . 0.0 111.567 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.18 -44.02 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.411 1.005 . . . . 0.0 110.29 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.2 m -59.03 -46.71 87.53 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.709 1.203 . . . . 0.0 111.176 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -66.63 -37.06 84.06 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.843 0.457 . . . . 0.0 112.206 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.22 -29.08 69.26 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.39 0.995 . . . . 0.0 112.388 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.59 86.6 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.109 0.862 . . . . 0.0 112.817 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.13 85.17 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.111 0.956 . . . . 0.0 112.056 170.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.62 -40.84 88.9 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.303 1.441 . . . . 0.0 111.477 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.38 -29.97 71.03 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.077 0.951 . . . . 0.0 113.492 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 tpt -74.22 -27.71 60.92 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.994 0.918 . . . . 0.0 112.922 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.9 mm -54.93 -40.67 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 110.721 169.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.409 ' HA ' ' CZ ' ' D' ' 200' ' ' TYR . 9.8 m-30 -76.52 42.93 0.3 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.416 1.886 . . . . 0.0 113.616 -171.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.95 -13.62 2.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.816 2.847 . . . . 0.0 117.027 -169.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.92 -31.91 72.26 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 120.558 1.526 . . . . 0.0 111.096 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.39 53.46 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.1 mt -90.78 8.73 33.2 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.533 1.933 . . . . 0.0 112.286 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -146.17 -18.13 0.44 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.423 1.889 . . . . 0.0 114.133 175.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 127.575 2.512 . . . . 0.0 113.394 169.786 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 119.175 -0.441 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 -53.52 47.32 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.204 1.927 . . . . 0.0 116.204 -170.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.6 p -54.98 -34.75 26.88 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -169.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -69.11 -33.57 18.77 Favored 'Trans proline' 0 C--N 1.356 0.944 0 CA-C-N 123.595 2.32 . . . . 0.0 113.202 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.55 -46.35 39.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.338 1.427 . . . . 0.0 110.521 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.32 -36.05 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.415 0.686 . . . . 0.0 112.406 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -74.76 -30.23 61.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.416 -0.802 . . . . 0.0 112.703 172.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.75 68.16 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.783 1.174 . . . . 0.0 112.172 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.86 -27.36 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.129 -0.982 . . . . 0.0 111.964 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.77 -35.36 79.85 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.526 1.06 . . . . 0.0 112.766 170.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -47.81 83.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.311 1.444 . . . . 0.0 110.758 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.87 -36.96 82.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.043 0.937 . . . . 0.0 112.07 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.56 -44.67 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.234 0.924 . . . . 0.0 110.925 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.39 95.9 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.28 0.943 . . . . 0.0 113.323 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -36.28 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 117.877 0.839 . . . . 0.0 111.477 172.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.62 -51.03 9.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.017 0.927 . . . . 0.0 112.801 -173.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.27 -25.87 63.55 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -55.17 -42.03 72.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.261 1.024 . . . . 0.0 111.518 169.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -82.3 -36.12 27.29 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.652 1.181 . . . . 0.0 113.701 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 96.6 p -66.48 -39.57 88.83 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.981 -1.074 . . . . 0.0 111.711 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.74 -19.77 73.54 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.944 1.259 . . . . 0.0 114.424 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -64.1 -44.37 92.49 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.975 1.387 . . . . 0.0 111.354 170.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -85.32 -16.95 38.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.795 1.238 . . . . 0.0 112.417 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.18 16.5 43.76 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.558 1.551 . . . . 0.0 113.649 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -87.0 142.56 27.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 112.813 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -75.07 -35.17 61.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -171.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -163.69 19.6 0.07 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -174.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.9 p -126.61 153.23 45.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.175 1.39 . . . . 0.0 112.505 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 140.37 50.9 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.966 1.306 . . . . 0.0 108.534 169.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -78.11 162.3 26.76 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.799 -0.563 . . . . 0.0 109.696 169.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -56.89 -33.88 67.33 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.792 -1.193 . . . . 0.0 112.885 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -68.85 -41.87 77.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.695 1.198 . . . . 0.0 112.838 170.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -75.21 -26.34 58.9 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.128 -0.982 . . . . 0.0 111.884 -176.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -45.94 86.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.086 0.954 . . . . 0.0 109.546 169.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -59.61 -40.92 89.12 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.181 -0.949 . . . . 0.0 111.534 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.35 -51.37 69.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.961 0.904 . . . . 0.0 111.775 171.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.27 -50.72 64.25 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.134 0.973 . . . . 0.0 111.211 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.11 -47.85 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 118.368 0.531 . . . . 0.0 111.456 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.94 -19.02 59.11 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.43 -51.2 6.06 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.006 1.276 . . . . 0.0 113.051 169.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.55 -43.44 13.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.464 0.575 . . . . 0.0 111.876 -169.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.2 mt -83.89 -36.88 23.05 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.576 0.626 . . . . 0.0 110.724 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 C-N-CA 126.331 1.853 . . . . 0.0 111.191 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.06 -28.44 64.55 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.678 -1.264 . . . . 0.0 113.54 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.48 -28.79 68.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.017 1.327 . . . . 0.0 112.878 171.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -80.31 -37.22 33.09 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.171 0.988 . . . . 0.0 110.477 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.08 -39.07 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.22 -0.925 . . . . 0.0 112.279 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.77 -27.6 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.183 0.901 . . . . 0.0 112.606 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -76.09 -35.69 59.25 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.078 0.854 . . . . 0.0 112.595 171.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.29 -39.66 95.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.901 0.773 . . . . 0.0 111.346 169.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -62.25 -38.94 91.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.468 1.107 . . . . 0.0 111.384 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.51 -39.48 94.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.173 0.989 . . . . 0.0 112.463 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -72.37 -20.34 61.47 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.984 1.265 . . . . 0.0 113.995 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.05 -46.14 17.08 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.691 1.197 . . . . 0.0 110.836 169.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.94 -35.47 75.01 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.347 1.059 . . . . 0.0 112.813 173.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -57.37 -27.54 62.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.05 2.14 . . . . 0.0 113.095 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -83.5 -7.14 59.59 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.119 0.968 . . . . 0.0 113.343 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -147.44 -135.72 0.08 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.825 1.65 . . . . 0.0 111.429 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -160.59 100.71 1.32 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.455 1.102 . . . . 0.0 110.175 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 74.04 -28.27 0.19 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.563 2.745 . . . . 0.0 112.91 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.65 144.22 50.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.636 1.974 . . . . 0.0 107.877 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 127.48 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.05 1.74 . . . . 0.0 107.794 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -78.99 158.03 28.01 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.08 0.552 . . . . 0.0 111.523 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -49.15 -44.54 42.79 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.154 1.382 . . . . 0.0 114.528 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -62.64 -43.32 99.1 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.632 -0.667 . . . . 0.0 111.657 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.87 -31.19 63.04 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.77 0.828 . . . . 0.0 111.877 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -60.57 -46.12 91.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 110.745 169.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.2 -35.09 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.067 -1.021 . . . . 0.0 111.988 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.9 m -56.13 -44.6 79.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 110.526 173.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.01 -37.74 81.79 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 173.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.11 -20.6 59.02 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.738 1.153 . . . . 0.0 112.289 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.94 -39.54 93.32 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-N 119.892 1.224 . . . . 0.0 112.648 169.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.86 71.23 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.453 1.126 . . . . 0.0 112.157 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.4 -45.03 92.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.298 0.639 . . . . 0.0 111.368 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.83 74.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 0.0 112.177 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.3 mtp -69.67 -20.85 63.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 172.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -69.34 -26.74 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 120.01 1.277 . . . . 0.0 112.204 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -78.3 53.0 1.19 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.989 1.316 . . . . 0.0 111.24 169.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -53.42 -36.36 61.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.771 1.628 . . . . 0.0 114.567 -169.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -62.24 -30.88 71.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.653 0.781 . . . . 0.0 112.901 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.81 63.14 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.253 -0.904 . . . . 0.0 112.51 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.96 -42.58 63.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.275 1.03 . . . . 0.0 110.282 172.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt . . . . . 0 N--CA 1.474 0.754 0 C-N-CA 123.466 0.707 . . . . 0.0 112.808 -179.615 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 CA-C-O 121.18 0.322 . . . . 0.0 113.443 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.62 -34.34 72.65 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.991 -0.711 . . . . 0.0 112.747 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.4 -27.41 64.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.867 1.267 . . . . 0.0 112.59 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -63.76 -24.66 67.85 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.91 -36.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.028 1.731 . . . . 0.0 109.702 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.78 -28.86 66.1 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.569 1.548 . . . . 0.0 111.914 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -55.36 -27.22 45.9 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.946 -1.096 . . . . 0.0 113.115 172.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -71.96 -10.83 60.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.19 0.996 . . . . 0.0 113.538 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 21.8 mt -99.63 -25.26 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.506 2.322 . . . . 0.0 111.156 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -51.95 -42.83 63.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.46 -3.34 46.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.321 1.449 . . . . 0.0 114.0 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -101.36 -36.62 8.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.632 1.573 . . . . 0.0 111.695 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -85.87 16.15 43.61 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.499 1.523 . . . . 0.0 114.197 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.63 154.69 35.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.306 1.443 . . . . 0.0 114.012 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 21.0 t70 72.03 -31.66 0.23 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 129.336 3.054 . . . . 0.0 115.674 171.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -85.05 -22.0 29.18 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.993 1.27 . . . . 0.0 113.587 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.35 -48.94 79.6 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.66 0.784 . . . . 0.0 111.65 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -62.27 -30.98 71.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.884 -1.135 . . . . 0.0 113.07 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -77.64 -24.05 49.56 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.261 1.024 . . . . 0.0 111.641 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 54.1 m -78.25 -52.89 7.98 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.569 1.948 . . . . 0.0 110.79 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.21 -35.76 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.2 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -55.27 -58.97 5.52 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.236 0.925 . . . . 0.0 112.018 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.72 -38.45 91.14 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.966 -1.084 . . . . 0.0 112.794 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.84 -38.08 84.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.663 0.785 . . . . 0.0 112.839 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 215' ' ' TRP . . . . . 0.464 ' HA ' ' HE2' ' A' ' 18' ' ' LYS . 4.5 t-105 . . . . . 0 CA--C 1.537 0.476 0 O-C-N 121.695 -0.628 . . . . 0.0 111.741 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.02 -32.08 63.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 11.3 mmt -53.1 -33.81 53.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.418 1.087 . . . . 0.0 112.56 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.11 -19.18 64.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.7 t -97.0 -40.35 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.153 1.381 . . . . 0.0 108.553 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.95 -34.86 78.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.895 1.678 . . . . 0.0 112.035 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.01 -29.42 70.26 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 112.836 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -65.78 -26.82 67.88 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.647 -1.283 . . . . 0.0 112.427 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 9.8 mm -79.0 -39.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.888 1.275 . . . . 0.0 110.837 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 200' ' ' TYR . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 84' ' ' TYR . 1.9 t80 -58.52 -36.78 74.36 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.289 -0.882 . . . . 0.0 112.731 173.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.13 -3.02 4.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.03 1.332 . . . . 0.0 114.556 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -108.51 -47.65 3.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.524 1.53 . . . . 0.0 110.401 168.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 64.43 -156.4 45.71 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.514 1.53 . . . . 0.0 116.413 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -159.16 145.6 16.73 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.359 1.864 . . . . 0.0 111.234 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.7 -41.64 21.03 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -73.49 -25.77 60.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.46 -56.51 16.32 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.328 1.051 . . . . 0.0 109.865 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -63.99 -25.72 68.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.83 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -69.43 -37.51 77.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.708 1.595 . . . . 0.0 111.813 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 96.9 m -68.97 -42.85 76.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.306 1.442 . . . . 0.0 111.45 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.21 -51.11 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.094 0.558 . . . . 0.0 110.927 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -56.8 -50.12 73.32 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.672 0.669 . . . . 0.0 112.112 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.18 -35.24 80.16 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.18 89.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.309 0.958 . . . . 0.0 112.427 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.6 m95 . . . . . 0 CA--C 1.54 0.576 0 O-C-N 121.452 -0.78 . . . . 0.0 111.879 175.753 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -59.22 -29.98 6.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -66.76 -36.56 23.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.234 1.956 . . . . 0.0 112.62 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -78.17 -40.13 38.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.759 0.709 . . . . 0.0 110.967 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.09 -42.96 73.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.193 1.397 . . . . 0.0 112.531 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.49 -22.1 60.24 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.09 -47.69 14.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.809 0.844 . . . . 0.0 112.187 174.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.4 pt -63.61 -33.65 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.146 -0.971 . . . . 0.0 110.992 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.07 71.81 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.693 1.14 . . . . 0.0 113.729 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -49.6 58.0 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.868 1.334 . . . . 0.0 110.058 174.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.2 -39.94 84.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.369 1.068 . . . . 0.0 111.379 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.93 -48.37 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.066 0.848 . . . . 0.0 110.873 171.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.91 -24.84 73.12 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.478 1.037 . . . . 0.0 113.703 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.21 -47.43 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.079 1.352 . . . . 0.0 111.362 169.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.08 -55.93 5.82 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -69.81 -23.91 63.39 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -169.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -50.2 -44.6 53.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.94 1.296 . . . . 0.0 111.711 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -80.91 -30.81 35.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.684 1.194 . . . . 0.0 113.027 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -64.52 -31.92 73.34 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.353 -0.842 . . . . 0.0 112.868 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.34 -9.28 79.79 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.98 1.276 . . . . 0.0 113.964 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt . . . . . 0 CA--C 1.544 0.715 0 CA-C-N 119.085 1.443 . . . . 0.0 112.86 -177.253 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 122.108 0.956 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 61.24 2.11 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.044 1.737 . . . . 0.0 113.536 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -131.96 157.93 42.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.503 1.921 . . . . 0.0 111.209 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 99.0 mt -126.69 133.37 50.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.325 1.85 . . . . 0.0 108.327 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.2 p -79.2 175.15 10.85 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.61 -0.681 . . . . 0.0 112.666 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -31.68 63.54 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 175.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -80.6 -46.35 15.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.387 -0.821 . . . . 0.0 111.39 169.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.69 -30.4 71.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.807 0.731 . . . . 0.0 112.956 -174.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -50.25 69.85 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.562 -0.711 . . . . 0.0 110.46 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.25 -30.11 71.31 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.217 -0.927 . . . . 0.0 112.692 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.66 -49.27 75.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.942 0.897 . . . . 0.0 110.57 173.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.35 -52.99 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.718 0.807 . . . . 0.0 110.796 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.76 -49.02 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.899 0.772 . . . . 0.0 111.625 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.25 -27.59 64.57 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.477 1.035 . . . . 0.0 112.766 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -87.16 -38.85 16.05 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.62 -51.86 5.66 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 111.851 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.83 68.96 10.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.497 1.119 . . . . 0.0 109.086 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 126.099 1.76 . . . . 0.0 112.098 -174.571 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.88 -26.55 64.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.62 -1.3 . . . . 0.0 113.151 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -27.94 68.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 113.268 170.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -80.79 -41.35 23.52 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.351 1.061 . . . . 0.0 110.318 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.3 mm -70.02 -33.5 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.84 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.96 -29.93 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 119.962 1.255 . . . . 0.0 112.089 171.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -76.19 -36.28 58.72 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.438 1.017 . . . . 0.0 111.88 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.14 -42.79 99.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.713 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -60.8 -37.9 83.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.033 0.933 . . . . 0.0 111.672 172.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.59 -31.85 70.25 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.515 1.126 . . . . 0.0 113.207 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -74.09 -26.26 60.27 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.181 -0.95 . . . . 0.0 112.673 171.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.92 -56.43 5.72 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 110.105 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -66.23 -18.23 65.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.215 2.206 . . . . 0.0 114.375 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -22.13 4.79 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.429 1.492 . . . . 0.0 112.459 169.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.77 -8.2 59.11 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -144.8 -98.63 0.1 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 120.398 1.454 . . . . 0.0 114.058 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.71 -55.64 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.959 1.254 . . . . 0.0 113.78 -169.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -157.05 27.75 0.31 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.005 1.722 . . . . 0.0 111.685 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.64 169.01 20.81 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.263 1.825 . . . . 0.0 111.814 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.63 122.84 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.585 1.154 . . . . 0.0 110.281 169.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.38 163.05 20.83 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.513 173.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.15 -44.93 71.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -63.07 -45.34 92.63 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.699 0.681 . . . . 0.0 110.665 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -71.75 -34.89 69.87 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.89 1.276 . . . . 0.0 111.404 -173.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.21 -39.43 82.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.174 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 mt -74.57 -36.52 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.15 -0.968 . . . . 0.0 112.326 175.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -54.21 -42.34 69.66 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.942 1.246 . . . . 0.0 111.443 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -69.32 -39.32 78.3 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.57 -20.65 64.91 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 172.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.08 96.32 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 119.479 1.036 . . . . 0.0 111.927 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.67 -36.66 65.36 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.982 0.891 . . . . 0.0 112.382 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.01 -35.43 79.91 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.496 0.589 . . . . 0.0 111.657 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.25 76.72 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.509 0.724 . . . . 0.0 110.688 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.61 -29.71 69.39 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.109 1.364 . . . . 0.0 114.02 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 tp -59.4 -31.55 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.12 0.873 . . . . 0.0 112.527 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -77.1 54.3 1.04 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.063 1.345 . . . . 0.0 111.695 169.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -52.5 -26.57 13.38 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -173.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -79.64 -18.07 52.31 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.073 1.306 . . . . 0.0 113.688 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -40.82 64.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.558 1.143 . . . . 0.0 109.347 169.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.72 -28.8 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.171 1.388 . . . . 0.0 112.273 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -65.21 -34.81 79.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.887 0.875 . . . . 0.0 112.597 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.895 1.712 . . . . 0.0 111.969 -177.31 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 119.31 -0.376 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.71 -22.78 37.17 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -57.17 -34.19 24.24 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.199 1.926 . . . . 0.0 116.199 -174.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.55 -36.58 52.88 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.317 2.678 . . . . 0.0 113.01 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.41 -40.22 44.33 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.95 0.796 . . . . 0.0 111.191 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -59.9 -39.9 86.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.948 0.899 . . . . 0.0 112.232 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -73.93 -22.3 59.72 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.17 -49.83 13.09 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.781 1.173 . . . . 0.0 112.298 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.38 -32.21 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.126 0.876 . . . . 0.0 111.294 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.32 -22.81 74.85 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.198 1.38 . . . . 0.0 113.903 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -48.01 61.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.166 1.483 . . . . 0.0 109.847 175.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.89 -39.85 90.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.956 0.902 . . . . 0.0 111.416 175.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.67 -44.8 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.61 0.641 . . . . 0.0 110.769 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 -28.48 73.81 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.355 0.978 . . . . 0.0 113.775 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.3 mt -79.23 -48.46 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.634 1.174 . . . . 0.0 112.004 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -77.53 -52.27 9.33 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.975 0.91 . . . . 0.0 113.004 -170.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.99 -19.38 60.67 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.662 -0.649 . . . . 0.0 112.666 -172.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.12 -41.17 96.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.76 0.824 . . . . 0.0 109.781 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -34.13 35.67 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -174.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -67.38 -5.64 15.46 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.6 -7.34 84.59 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 118.835 -0.981 . . . . 0.0 114.59 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -77.38 -42.8 35.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.481 1.641 . . . . 0.0 112.449 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -138.86 -28.98 0.79 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.017 1.327 . . . . 0.0 113.511 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.92 -156.19 9.61 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.958 1.266 . . . . 0.0 113.41 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.83 -51.62 0.05 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.701 1.2 . . . . 0.0 112.343 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -86.81 -162.64 0.8 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.316 1.046 . . . . 0.0 112.032 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -73.88 50.52 0.36 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.31 1.844 . . . . 0.0 113.571 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t -150.6 152.97 34.87 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.684 1.594 . . . . 0.0 111.093 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -121.29 143.77 48.99 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.801 1.641 . . . . 0.0 109.9 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.0 m -77.2 154.74 32.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.624 -1.297 . . . . 0.0 109.314 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -56.14 -40.28 73.55 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.083 -1.636 . . . . 0.0 113.953 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -78.44 -22.52 47.52 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -68.49 -43.49 76.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.018 1.327 . . . . 0.0 109.801 171.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.408 ' C ' HD13 ' B' ' 34' ' ' LEU . 1.9 tm? -62.01 -44.89 95.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.249 1.42 . . . . 0.0 111.313 169.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -55.93 -40.23 72.82 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.169 -0.957 . . . . 0.0 111.347 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.09 -43.68 81.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 117.96 -1.019 . . . . 0.0 112.162 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.81 -52.53 40.32 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.929 1.24 . . . . 0.0 110.582 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.86 -46.88 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 118.6 -0.714 . . . . 0.0 111.599 -175.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -78.17 -11.17 59.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -88.79 -53.56 4.56 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.356 0.98 . . . . 0.0 112.171 169.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -88.68 -40.4 13.31 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.423 1.489 . . . . 0.0 114.109 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.23 23.49 11.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.901 1.68 . . . . 0.0 112.367 -169.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.403 0 C-N-CA 128.499 2.72 . . . . 0.0 113.68 -169.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -61.32 -35.81 78.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.612 -1.305 . . . . 0.0 112.204 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.74 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.084 1.353 . . . . 0.0 113.382 171.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -81.73 -38.57 25.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.791 0.836 . . . . 0.0 110.907 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.81 -41.77 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 111.66 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.62 -25.84 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.905 1.23 . . . . 0.0 112.296 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -78.2 -32.21 49.89 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.433 1.015 . . . . 0.0 112.968 170.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.41 -40.73 85.6 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.867 -1.146 . . . . 0.0 111.593 170.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.68 -42.85 97.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.641 1.576 . . . . 0.0 111.254 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.15 -43.02 96.06 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.957 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.8 -45.3 93.27 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.968 1.258 . . . . 0.0 112.168 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.31 -41.97 97.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.139 1.375 . . . . 0.0 112.352 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.25 -41.12 90.43 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.161 1.384 . . . . 0.0 112.807 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -70.39 -20.98 62.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.393 1.877 . . . . 0.0 112.737 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.14 -28.91 64.62 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.509 0.724 . . . . 0.0 112.031 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -107.03 -129.36 0.28 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.94 1.696 . . . . 0.0 109.925 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.13 -17.97 0.57 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -174.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -172.8 -32.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.198 1.399 . . . . 0.0 112.067 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.15 141.63 51.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.096 1.759 . . . . 0.0 106.51 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.7 t -84.27 102.42 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.448 1.899 . . . . 0.0 108.854 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -78.29 149.55 33.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.513 0.725 . . . . 0.0 111.759 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -53.52 -40.55 65.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.273 1.429 . . . . 0.0 114.777 -175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -71.49 -35.46 70.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.849 1.204 . . . . 0.0 111.999 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.56 -34.79 67.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.942 0.897 . . . . 0.0 111.791 175.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.79 -45.41 93.97 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.856 1.263 . . . . 0.0 111.404 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.4 mt -68.47 -38.21 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 118.672 -0.68 . . . . 0.0 111.495 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 67.5 m -58.73 -45.4 89.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.255 0.934 . . . . 0.0 111.0 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.08 -42.27 99.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.67 0.788 . . . . 0.0 111.96 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.81 -23.15 67.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.258 0.935 . . . . 0.0 112.89 173.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.6 64.94 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 119.434 1.015 . . . . 0.0 112.701 170.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.43 71.41 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.134 0.967 . . . . 0.0 112.204 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.52 -41.73 92.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.77 0.828 . . . . 0.0 110.642 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.77 71.68 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.327 1.051 . . . . 0.0 112.048 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.2 ttm -72.81 -31.8 65.08 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.513 1.125 . . . . 0.0 113.136 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 tp -61.97 -28.39 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -174.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -62.84 -17.14 60.98 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 67.63 -59.8 0.4 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 129.238 3.015 . . . . 0.0 114.698 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.99 -33.8 76.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.704 1.202 . . . . 0.0 111.673 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.49 72.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.028 0.931 . . . . 0.0 113.008 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.99 15.62 18.34 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt . . . . . 0 N--CA 1.476 0.83 0 C-N-CA 124.798 1.239 . . . . 0.0 112.948 170.257 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.193 0 CA-C-O 119.487 -0.619 . . . . 0.0 113.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.99 -65.24 0.72 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.033 1.333 . . . . 0.0 109.019 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -53.52 -32.16 49.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.923 1.289 . . . . 0.0 112.215 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.07 -20.49 62.65 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 70.4 t -96.75 -35.54 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 120.18 1.354 . . . . 0.0 109.59 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.18 -31.86 66.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.277 1.831 . . . . 0.0 112.257 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.54 -28.57 68.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.324 1.049 . . . . 0.0 112.86 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -64.78 -21.74 66.84 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.541 1.136 . . . . 0.0 112.937 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.96 -48.04 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.068 1.347 . . . . 0.0 110.581 170.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -51.41 -41.46 60.76 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.694 1.198 . . . . 0.0 113.799 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -81.74 -2.75 51.73 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.814 1.246 . . . . 0.0 113.606 -175.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -110.87 -38.46 5.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 113.387 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.28 151.41 51.77 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.827 1.203 . . . . 0.0 114.08 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.83 154.53 41.21 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.018 1.327 . . . . 0.0 113.366 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -79.33 36.41 0.3 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.931 2.092 . . . . 0.0 113.41 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -71.92 -34.27 68.94 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.731 -1.23 . . . . 0.0 113.387 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 54.6 ttm -62.89 -47.0 85.2 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.697 0.68 . . . . 0.0 110.55 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -11.3 32.94 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -89.77 -44.04 10.26 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.391 0.996 . . . . 0.0 111.185 169.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.5 m -69.7 -37.92 76.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.502 1.521 . . . . 0.0 112.99 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.33 -39.72 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.824 0.849 . . . . 0.0 111.773 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.06 -48.81 78.99 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.944 0.793 . . . . 0.0 111.362 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.05 -49.4 78.04 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.328 -0.857 . . . . 0.0 111.656 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.85 68.98 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 123.799 0.84 . . . . 0.0 111.686 172.289 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 N-CA-C 112.339 -0.305 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.83 -25.55 63.31 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.293 1.037 . . . . 0.0 113.768 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.41 -29.35 15.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.305 1.442 . . . . 0.0 112.883 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.84 -15.83 63.88 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.57 -37.83 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.459 1.904 . . . . 0.0 110.346 173.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -66.85 -25.85 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.554 1.142 . . . . 0.0 111.937 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.73 -27.21 62.79 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.311 -0.868 . . . . 0.0 112.746 170.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -70.85 -16.1 62.68 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.07 0.948 . . . . 0.0 112.699 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.86 -41.74 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.375 1.47 . . . . 0.0 110.48 169.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -50.7 -42.97 57.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.07 0.948 . . . . 0.0 113.234 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.25 -4.47 22.0 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -79.45 -20.0 48.51 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.034 0.934 . . . . 0.0 112.514 170.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 98.88 -171.34 24.71 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.904 1.716 . . . . 0.0 114.542 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -164.32 164.8 22.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.513 2.325 . . . . 0.0 110.593 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.25 -38.62 0.09 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.13 -19.45 60.57 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 22.5 mmt -54.02 -50.46 66.59 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.376 1.07 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -65.39 -26.54 68.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.863 0.865 . . . . 0.0 113.247 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -83.38 -27.02 29.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.797 1.239 . . . . 0.0 112.282 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 30.3 m -91.82 -48.27 6.88 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.068 1.347 . . . . 0.0 111.512 -177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 88.8 mt -75.2 -46.7 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.735 0.814 . . . . 0.0 111.439 -169.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -59.53 -41.18 89.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.671 1.123 . . . . 0.0 111.679 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.7 -53.99 51.31 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.444 0.698 . . . . 0.0 111.379 173.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.76 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 10.4 m95 . . . . . 0 N--CA 1.473 0.706 0 C-N-CA 124.855 1.262 . . . . 0.0 113.224 179.251 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 p -38.21 -49.92 3.33 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -169.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.96 -36.24 31.41 Favored 'Trans proline' 0 C--N 1.355 0.88 0 CA-C-N 122.617 1.97 . . . . 0.0 112.729 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.09 -39.49 25.6 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.436 1.016 . . . . 0.0 111.96 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.39 -38.05 82.72 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.891 1.276 . . . . 0.0 112.203 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -73.84 -23.9 59.69 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 173.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.42 -48.75 12.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.685 1.13 . . . . 0.0 112.622 175.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.9 pt -63.02 -35.27 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.87 -1.144 . . . . 0.0 110.586 172.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -27.31 71.28 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 124.818 1.199 . . . . 0.0 113.113 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -49.75 58.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.674 1.737 . . . . 0.0 110.15 173.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.63 -43.37 89.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.403 0.681 . . . . 0.0 110.917 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -66.65 -41.98 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.883 0.765 . . . . 0.0 110.934 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.63 89.71 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.511 1.053 . . . . 0.0 112.626 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mt -66.19 -35.13 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.214 1.007 . . . . 0.0 111.905 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -65.87 -53.55 38.24 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.33 0.968 . . . . 0.0 111.154 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.27 -26.86 64.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -51.85 -48.59 63.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.775 1.23 . . . . 0.0 111.537 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.484 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 50.8 m-85 -81.84 -36.42 28.29 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p -67.39 -30.87 70.76 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 121.098 1.772 . . . . 0.0 112.742 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 -8.75 59.41 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.764 1.173 . . . . 0.0 114.811 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' A' ' 19' ' ' TYR . 39.6 mttm . . . . . 0 N--CA 1.472 0.669 0 CA-C-N 119.037 1.419 . . . . 0.0 112.241 171.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.83 17.85 0.88 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -169.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -155.74 147.46 23.07 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.465 1.506 . . . . 0.0 111.896 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.6 154.35 35.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.986 1.714 . . . . 0.0 110.527 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -79.62 158.01 27.16 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.298 -0.876 . . . . 0.0 110.385 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -55.77 -39.53 71.35 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.506 -1.371 . . . . 0.0 113.69 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -31.0 63.38 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.035 -1.041 . . . . 0.0 113.784 176.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.75 -38.5 73.5 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.451 1.1 . . . . 0.0 110.413 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.4 -43.08 91.76 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.338 1.055 . . . . 0.0 110.395 169.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -57.61 -37.64 73.59 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.044 -1.035 . . . . 0.0 111.619 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.09 -40.3 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.723 0.809 . . . . 0.0 112.173 175.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -54.67 -51.23 66.13 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.486 1.039 . . . . 0.0 110.403 169.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.62 -50.81 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.587 0.631 . . . . 0.0 111.013 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.02 -28.39 69.77 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -86.68 -45.4 11.02 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.43 -43.16 12.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.822 0.849 . . . . 0.0 112.936 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -112.88 45.07 1.39 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.842 2.457 . . . . 0.0 110.014 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.473 0.695 0 C-N-CA 127.494 2.317 . . . . 0.0 113.631 -169.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.43 -25.21 61.95 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.915 -1.116 . . . . 0.0 112.499 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.41 71.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.894 1.278 . . . . 0.0 113.188 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.99 -33.19 33.92 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.475 0.58 . . . . 0.0 110.739 169.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.42 -40.78 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.286 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -27.82 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.642 1.565 . . . . 0.0 112.984 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.19 -40.33 59.4 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.996 0.817 . . . . 0.0 112.55 170.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.86 -34.0 77.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.858 0.863 . . . . 0.0 111.888 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.58 -39.18 87.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.089 1.356 . . . . 0.0 110.992 169.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.41 -36.85 83.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.337 0.971 . . . . 0.0 113.04 171.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -66.73 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.706 1.139 . . . . 0.0 112.657 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.33 -44.64 19.16 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.893 1.677 . . . . 0.0 112.416 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.09 -15.12 63.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.493 1.917 . . . . 0.0 113.238 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.66 -18.04 4.09 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.754 1.622 . . . . 0.0 113.817 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.12 -33.15 73.92 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -148.04 -19.55 0.35 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -170.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t0 66.75 50.38 1.15 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.311 1.844 . . . . 0.0 111.802 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 176.39 -41.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.261 2.624 . . . . 0.0 111.849 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -145.35 154.16 42.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.442 1.497 . . . . 0.0 111.232 -170.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.6 t -111.71 105.1 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 127.513 2.325 . . . . 0.0 108.649 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -82.45 151.89 26.35 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 112.276 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.85 -40.13 63.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.396 1.478 . . . . 0.0 114.687 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.13 -39.2 89.69 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.66 -0.65 . . . . 0.0 112.002 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.93 -40.38 75.55 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.844 0.458 . . . . 0.0 111.093 173.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -57.73 -46.13 84.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.201 1.0 . . . . 0.0 113.132 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -43.76 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 120.033 1.288 . . . . 0.0 111.206 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 m -57.15 -44.19 83.2 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.161 0.985 . . . . 0.0 110.853 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.82 -40.84 79.3 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.528 1.531 . . . . 0.0 112.344 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.56 -26.12 68.27 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.601 1.091 . . . . 0.0 111.88 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.08 -38.13 93.72 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 118.99 0.814 . . . . 0.0 112.565 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.0 74.07 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.989 0.895 . . . . 0.0 111.778 170.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.21 -43.08 87.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.133 -0.979 . . . . 0.0 111.007 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.74 99.3 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.579 1.152 . . . . 0.0 112.686 173.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 ptm -71.75 -24.26 61.74 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.621 1.101 . . . . 0.0 113.404 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.41 -27.74 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.922 0.889 . . . . 0.0 111.818 170.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -77.01 54.16 1.01 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 122.454 1.121 . . . . 0.0 110.657 168.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -44.57 -36.05 2.84 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.742 2.817 . . . . 0.0 115.739 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.27 -25.78 66.23 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.819 0.736 . . . . 0.0 112.532 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.08 -20.08 63.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.714 0.806 . . . . 0.0 112.667 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.5 -4.75 33.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.041 1.736 . . . . 0.0 112.467 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -87.69 -48.29 7.99 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.46 1.104 . . . . 0.0 109.824 169.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 C-N-CA 126.514 2.007 . . . . 0.0 115.189 175.46 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.428 0.156 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.3 21.67 0.08 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.717 2.407 . . . . 0.0 112.127 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.7 p -44.71 -42.07 13.68 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.45 -38.6 14.36 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 123.307 2.217 . . . . 0.0 113.132 -171.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.25 -39.99 22.23 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.06 0.845 . . . . 0.0 112.183 170.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.39 -39.19 82.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.68 0.673 . . . . 0.0 112.513 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.27 -30.83 71.87 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.7 0.682 . . . . 0.0 112.287 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.28 -49.1 12.03 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.906 0.882 . . . . 0.0 112.451 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.64 -30.86 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.087 0.858 . . . . 0.0 111.517 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.76 -35.35 90.84 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.479 1.514 . . . . 0.0 112.983 172.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.27 78.09 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.714 1.206 . . . . 0.0 110.563 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.86 -40.52 80.38 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.998 0.919 . . . . 0.0 111.654 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -46.0 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.703 1.138 . . . . 0.0 111.548 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.76 -36.68 92.58 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 123.829 0.728 . . . . 0.0 114.131 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.54 -44.0 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.921 1.361 . . . . 0.0 111.505 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -74.06 -54.99 6.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.387 0.994 . . . . 0.0 113.589 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -68.15 -24.41 64.99 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -46.68 -47.52 20.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.714 1.205 . . . . 0.0 112.37 169.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -82.62 -34.36 27.6 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.998 1.319 . . . . 0.0 113.487 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.6 m -61.52 -43.07 99.53 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.884 -1.135 . . . . 0.0 112.297 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.29 -16.62 67.27 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.492 1.044 . . . . 0.0 113.527 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.45 -34.47 65.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.204 1.002 . . . . 0.0 112.172 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -77.18 -40.31 45.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.342 0.657 . . . . 0.0 110.452 169.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.03 -18.14 33.21 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 126.507 2.004 . . . . 0.0 116.657 169.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.71 -44.02 19.39 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.132 1.466 . . . . 0.0 113.356 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -150.05 166.77 28.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.978 1.711 . . . . 0.0 112.109 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -74.43 58.03 0.73 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.229 1.812 . . . . 0.0 113.233 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -136.78 165.17 26.55 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.22 2.208 . . . . 0.0 110.677 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -129.07 122.23 29.53 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.975 1.31 . . . . 0.0 109.971 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -78.28 169.12 18.78 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.827 0.822 . . . . 0.0 110.653 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -53.02 -47.79 68.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.146 1.378 . . . . 0.0 114.598 -169.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.92 -32.0 70.06 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.18 -39.39 63.22 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.242 . . . . 0.0 111.457 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.64 -47.58 84.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.391 1.076 . . . . 0.0 110.499 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -57.76 -37.82 74.33 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.704 0.684 . . . . 0.0 112.406 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -64.69 -39.78 94.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.645 0.657 . . . . 0.0 112.428 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.04 -56.25 24.7 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.771 0.828 . . . . 0.0 110.291 169.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.92 -45.88 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 118.133 0.424 . . . . 0.0 111.125 -172.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.94 -20.3 59.74 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.838 0.744 . . . . 0.0 112.821 -175.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -86.17 -51.71 6.12 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.567 1.076 . . . . 0.0 113.398 169.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.74 -34.53 21.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.098 0.959 . . . . 0.0 112.279 -169.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 18.3 mt -117.84 45.11 2.03 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.795 2.038 . . . . 0.0 109.829 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.473 0.698 0 C-N-CA 126.638 1.975 . . . . 0.0 114.755 -169.1 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.36 -39.0 45.18 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.333 1.853 . . . . 0.0 113.905 -174.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.26 69.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.83 0.852 . . . . 0.0 113.179 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -81.35 -39.84 24.45 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.811 0.845 . . . . 0.0 110.698 169.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -63.0 -39.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.496 0.718 . . . . 0.0 112.082 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.92 -31.62 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.611 1.096 . . . . 0.0 112.435 175.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -78.47 -28.65 46.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.014 0.825 . . . . 0.0 112.557 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.91 -42.07 86.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.988 0.915 . . . . 0.0 109.838 168.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.07 -36.95 85.31 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.916 1.286 . . . . 0.0 111.19 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.13 -20.2 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.748 1.219 . . . . 0.0 113.515 172.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -80.63 -39.98 26.43 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 111.027 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.46 -38.57 77.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.219 1.408 . . . . 0.0 111.103 169.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.69 -31.44 69.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.037 1.335 . . . . 0.0 113.309 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 -71.55 -14.39 62.08 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.355 -0.841 . . . . 0.0 113.002 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.58 -27.96 26.9 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.409 1.004 . . . . 0.0 111.965 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -161.48 124.95 3.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.18 1.392 . . . . 0.0 112.952 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.49 131.6 51.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.607 1.563 . . . . 0.0 113.1 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.46 -63.51 0.3 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 128.237 2.615 . . . . 0.0 110.022 176.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.71 134.98 47.37 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.068 2.147 . . . . 0.0 109.934 -171.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.16 115.28 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.121 0.968 . . . . 0.0 111.855 -169.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -80.04 161.38 25.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.708 1.603 . . . . 0.0 112.061 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -49.57 -58.3 5.48 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -29.41 68.29 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.042 -1.036 . . . . 0.0 111.861 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -73.73 -32.88 64.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.39 2.276 . . . . 0.0 111.257 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -69.84 -40.24 75.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.167 1.387 . . . . 0.0 111.426 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.92 -32.24 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 120.789 -1.194 . . . . 0.0 111.589 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.0 m -59.74 -40.19 87.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.766 0.827 . . . . 0.0 111.131 172.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.75 -38.82 87.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.786 -0.626 . . . . 0.0 112.46 171.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -25.7 67.95 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.647 1.112 . . . . 0.0 112.067 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.31 86.21 Favored Glycine 0 N--CA 1.468 0.807 0 C-N-CA 124.12 0.867 . . . . 0.0 111.995 169.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.05 99.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.229 1.014 . . . . 0.0 112.059 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.54 -38.93 92.99 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.165 -0.96 . . . . 0.0 111.7 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.67 76.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.06 0.944 . . . . 0.0 112.984 171.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -71.37 -27.85 63.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.74 -37.26 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 0.0 110.797 169.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -74.74 46.79 0.3 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.069 1.348 . . . . 0.0 110.597 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.78 -30.7 34.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.69 2.796 . . . . 0.0 116.585 -168.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.97 -34.9 72.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.095 0.861 . . . . 0.0 112.265 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 -16.5 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -96.47 -26.61 15.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.287 1.435 . . . . 0.0 112.759 172.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt . . . . . 0 CA--C 1.543 0.705 0 CA-C-N 118.941 0.792 . . . . 0.0 112.865 175.609 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 CA-C-O 118.034 -1.425 . . . . 0.0 116.168 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.44 -42.8 78.71 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.83 2.315 . . . . 0.0 112.636 -177.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.48 67.0 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.395 1.078 . . . . 0.0 113.5 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -77.06 -23.43 52.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.933 1.242 . . . . 0.0 112.281 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.96 -45.5 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 109.159 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.25 -26.24 67.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.155 1.382 . . . . 0.0 112.173 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.8 -31.89 72.14 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.069 -1.019 . . . . 0.0 112.362 169.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -71.46 -17.7 62.35 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.15 -0.969 . . . . 0.0 112.769 174.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 29.0 mm -92.68 -35.17 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.638 1.575 . . . . 0.0 110.866 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -53.91 -41.35 67.57 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.259 1.423 . . . . 0.0 111.887 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.75 -4.94 34.51 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -97.53 -47.69 5.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.357 1.063 . . . . 0.0 109.6 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 29.77 -127.96 0.12 Allowed Glycine 0 C--N 1.343 0.945 0 C-N-CA 128.815 3.102 . . . . 0.0 117.035 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -167.26 -149.95 0.1 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.463 2.305 . . . . 0.0 110.132 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.26 -13.84 0.21 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.305 1.842 . . . . 0.0 113.605 -174.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.41 -19.64 66.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 19.6 mmt -48.5 -46.91 39.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.548 1.139 . . . . 0.0 112.465 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -63.94 -24.15 67.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -94.92 -19.95 19.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.936 1.695 . . . . 0.0 113.357 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 38.9 m -94.73 -51.57 4.66 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.688 1.195 . . . . 0.0 111.438 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.8 -40.28 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.945 0.898 . . . . 0.0 111.257 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.16 -65.75 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.499 1.12 . . . . 0.0 112.189 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -61.4 -36.72 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.329 -0.857 . . . . 0.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.11 77.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 1.3 t90 . . . . . 0 CA--C 1.543 0.701 0 CA-C-N 118.671 0.669 . . . . 0.0 111.979 172.437 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.134 0 N-CA-C 112.166 -0.374 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -54.62 -39.9 68.39 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.451 1.101 . . . . 0.0 113.388 -173.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -27.69 33.65 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.277 1.431 . . . . 0.0 114.149 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.11 -8.8 58.71 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.562 1.074 . . . . 0.0 113.648 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.48 -39.15 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.643 1.577 . . . . 0.0 109.036 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.67 -39.02 86.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.317 1.447 . . . . 0.0 111.077 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.84 -36.96 50.09 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.311 1.444 . . . . 0.0 112.971 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.4 -25.17 66.64 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.324 -0.86 . . . . 0.0 112.71 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.25 -43.75 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.024 0.93 . . . . 0.0 110.351 172.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -53.33 -39.55 64.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.644 1.178 . . . . 0.0 113.927 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.18 -6.4 34.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -108.97 -40.91 4.87 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.981 1.713 . . . . 0.0 111.159 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 73.07 -150.83 44.69 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.966 1.746 . . . . 0.0 113.539 173.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -154.91 145.26 22.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.017 1.327 . . . . 0.0 110.778 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -69.57 -17.96 63.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.048 0.939 . . . . 0.0 113.515 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.48 -22.57 28.17 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -45.95 75.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.567 1.076 . . . . 0.0 110.986 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -19.87 66.08 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 51.6 ttp85 -85.44 -22.16 28.43 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.615 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 99.8 m -93.1 -49.74 5.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.914 1.685 . . . . 0.0 112.002 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.15 -32.66 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.63 0.65 . . . . 0.0 111.197 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -54.92 -59.99 3.98 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.856 0.862 . . . . 0.0 111.679 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.65 -35.12 79.48 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.974 -1.079 . . . . 0.0 112.937 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.2 67.57 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 85.9 t90 . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 123.762 0.825 . . . . 0.0 111.522 170.036 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -53.41 -36.44 38.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -170.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.87 -34.87 13.37 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 123.052 2.501 . . . . 0.0 113.155 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.9 tp -80.42 -38.27 30.48 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 111.629 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -60.83 -39.99 91.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.025 0.93 . . . . 0.0 111.692 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.25 -18.49 63.14 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.91 -52.84 6.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.208 0.913 . . . . 0.0 112.545 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 pt -65.01 -30.99 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 120.221 1.373 . . . . 0.0 112.02 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -24.46 74.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.343 0.973 . . . . 0.0 112.777 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -52.74 51.96 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.831 1.316 . . . . 0.0 109.887 171.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.62 -42.83 75.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.631 1.172 . . . . 0.0 110.851 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.07 -49.56 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 118.73 0.695 . . . . 0.0 111.932 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.73 -32.51 74.34 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.832 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -63.66 -52.02 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.294 1.047 . . . . 0.0 110.267 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.07 -48.68 77.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 111.807 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -26.98 64.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 28.4 ttpt -60.21 -43.01 96.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.105 0.866 . . . . 0.0 111.156 173.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CE2' ' HE2' ' A' ' 18' ' ' LYS . 63.6 m-85 -82.21 -38.4 24.62 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 76.9 p -65.24 -10.78 34.8 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.7 -6.0 89.19 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.885 -0.953 . . . . 0.0 114.762 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt . . . . . 0 CA--C 1.545 0.773 0 CA-C-N 119.317 1.558 . . . . 0.0 112.691 177.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.3 pttt . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 17.27 2.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.34 1.456 . . . . 0.0 114.721 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -159.5 143.78 15.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 113.354 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -113.55 153.53 28.63 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.191 1.796 . . . . 0.0 109.35 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -76.57 164.32 26.05 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.185 -0.947 . . . . 0.0 110.504 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.04 -36.0 72.12 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.128 -1.608 . . . . 0.0 113.392 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -75.24 -38.01 60.78 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 112.741 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -67.33 -40.6 85.91 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.31 1.044 . . . . 0.0 111.009 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.9 tm? -58.77 -47.43 84.74 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.555 1.142 . . . . 0.0 109.003 169.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -52.71 -36.01 56.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.994 0.816 . . . . 0.0 112.901 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.7 -48.53 76.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.427 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.89 -53.54 47.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.663 1.585 . . . . 0.0 111.548 172.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.2 pt -72.19 -26.81 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.28 -31.84 73.2 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.774 1.17 . . . . 0.0 111.905 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -62.53 1.64 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.675 0.79 . . . . 0.0 111.353 170.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -78.25 -33.11 49.91 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 -167.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -118.96 42.3 2.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.55 1.54 . . . . 0.0 109.805 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -168.829 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.37 -29.98 69.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.302 0.955 . . . . 0.0 113.164 -176.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.1 -27.78 68.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 112.928 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -80.09 -38.77 31.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.975 0.91 . . . . 0.0 110.519 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -61.02 -43.96 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.164 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.7 m -66.06 -26.6 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 119.978 1.263 . . . . 0.0 113.049 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.88 -37.22 35.29 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.397 0.999 . . . . 0.0 112.494 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.06 -41.01 97.71 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.88 1.218 . . . . 0.0 110.845 169.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.49 -45.47 91.58 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.13 1.372 . . . . 0.0 111.085 172.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.06 -44.53 96.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.643 0.777 . . . . 0.0 112.001 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.65 -29.38 69.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.201 0.91 . . . . 0.0 112.759 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.18 -51.95 21.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.13 1.372 . . . . 0.0 112.015 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -72.26 -27.81 62.73 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.223 1.809 . . . . 0.0 113.686 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -10.62 60.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.936 1.088 . . . . 0.0 113.936 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -71.69 -19.81 62.02 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 112.246 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.93 -97.19 0.44 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.798 1.639 . . . . 0.0 111.822 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -163.08 -71.46 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.107 1.363 . . . . 0.0 112.397 -170.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -142.77 20.24 1.99 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.334 1.853 . . . . 0.0 111.793 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -156.88 162.94 39.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.231 1.812 . . . . 0.0 111.175 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.56 112.3 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.178 1.391 . . . . 0.0 109.249 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -79.78 168.62 19.06 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.57 -36.7 84.65 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -173.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -66.9 -46.5 74.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.589 -0.694 . . . . 0.0 110.681 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.51 -36.11 81.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.733 0.813 . . . . 0.0 112.265 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -55.44 -51.8 65.73 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.906 0.882 . . . . 0.0 111.643 170.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.51 -39.53 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.887 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.3 m -60.05 -36.11 76.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.247 1.019 . . . . 0.0 111.596 172.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -72.94 -35.61 67.03 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 112.766 173.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.9 -29.65 70.35 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.425 1.466 . . . . 0.0 111.493 170.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.01 -35.85 92.36 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 123.966 0.793 . . . . 0.0 113.353 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.5 62.0 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.476 1.138 . . . . 0.0 112.089 169.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.41 -45.21 76.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.935 1.294 . . . . 0.0 111.177 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.8 69.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.977 1.311 . . . . 0.0 113.789 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.4 tmm? -77.45 -35.73 53.66 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.16 -35.21 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.613 1.097 . . . . 0.0 110.88 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -72.32 39.4 0.08 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.81 1.644 . . . . 0.0 112.629 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.5 -30.36 0.56 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 129.699 3.199 . . . . 0.0 118.641 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.19 -32.33 66.35 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 121.598 1.999 . . . . 0.0 112.919 173.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -18.15 62.39 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.196 1.398 . . . . 0.0 113.959 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.86 17.11 10.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.255 1.822 . . . . 0.0 113.233 175.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -73.95 -28.33 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.261 -1.524 . . . . 0.0 111.719 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 C-N-CA 125.697 1.618 . . . . 0.0 113.766 176.929 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 119.721 -0.181 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.86 -20.93 26.76 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.031 0.933 . . . . 0.0 112.867 170.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -46.0 -35.91 4.74 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.33 -44.85 21.05 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.564 2.176 . . . . 0.0 113.293 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 26.7 tp -79.51 -36.73 38.1 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.796 0.725 . . . . 0.0 111.536 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.75 -34.36 78.14 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.362 0.665 . . . . 0.0 112.509 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -74.36 -31.8 62.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.736 0.698 . . . . 0.0 111.749 171.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.17 66.19 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.457 1.026 . . . . 0.0 111.962 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -66.85 -31.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.105 -0.997 . . . . 0.0 111.211 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -28.97 72.99 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.727 1.155 . . . . 0.0 113.417 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -49.84 63.27 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.539 1.17 . . . . 0.0 110.654 174.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.99 -41.29 91.74 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.813 0.845 . . . . 0.0 111.282 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.5 mt -65.51 -44.84 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.473 0.579 . . . . 0.0 110.898 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -34.23 81.71 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.644 1.116 . . . . 0.0 113.071 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 23.0 mt -68.66 -53.26 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 117.909 0.854 . . . . 0.0 109.888 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.82 -55.7 29.95 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.52 -22.97 64.49 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -168.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -53.41 -41.81 66.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.123 0.969 . . . . 0.0 112.294 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -80.95 -37.7 28.99 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.2 m -52.16 -24.72 7.51 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.08 -6.29 84.93 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 118.854 -0.97 . . . . 0.0 115.118 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -80.97 -39.27 26.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.24 1.52 . . . . 0.0 113.502 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -142.29 -32.12 0.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.651 1.18 . . . . 0.0 113.279 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -138.11 5.42 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.865 1.698 . . . . 0.0 114.137 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.7 166.45 24.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.216 1.806 . . . . 0.0 110.113 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.86 16.47 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 117.83 2.529 . . . . 0.0 117.83 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -153.01 10.6 0.46 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.722 1.609 . . . . 0.0 114.151 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -150.46 166.18 30.92 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.938 1.295 . . . . 0.0 112.312 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.61 135.83 47.27 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 126.134 1.774 . . . . 0.0 109.306 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 t -78.31 148.45 33.8 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.557 -0.715 . . . . 0.0 109.823 169.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -58.34 -28.09 64.77 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.986 -1.696 . . . . 0.0 115.32 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -79.67 -27.1 40.83 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.35 -38.36 55.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.283 1.833 . . . . 0.0 109.897 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.99 -39.79 91.03 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.95 2.1 . . . . 0.0 110.971 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.98 -34.79 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.065 -1.647 . . . . 0.0 113.372 170.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -66.53 -42.05 87.83 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.627 0.649 . . . . 0.0 110.672 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.79 -54.07 50.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.166 170.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.56 -46.71 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 120.359 1.436 . . . . 0.0 111.885 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.73 -31.76 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.282 0.492 . . . . 0.0 111.973 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -85.32 -35.55 21.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.426 1.09 . . . . 0.0 112.906 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.23 -63.99 0.96 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.468 1.907 . . . . 0.0 110.129 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -85.23 -63.41 1.33 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.737 -0.602 . . . . 0.0 111.082 -173.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 125.934 1.693 . . . . 0.0 109.615 -174.951 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 110.738 -0.097 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.68 -37.65 87.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.214 1.006 . . . . 0.0 112.687 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -24.13 67.53 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.925 0.89 . . . . 0.0 113.042 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 -41.27 24.07 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.321 0.648 . . . . 0.0 110.293 169.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.38 -41.44 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.338 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -68.96 -24.47 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 119.489 1.04 . . . . 0.0 113.074 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.43 -36.84 33.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.065 0.848 . . . . 0.0 111.958 169.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.55 -40.64 84.98 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.54 -0.725 . . . . 0.0 111.691 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -28.83 69.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.642 0.655 . . . . 0.0 111.869 176.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.93 -28.02 64.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.094 1.358 . . . . 0.0 112.47 170.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.6 -26.24 37.96 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -47.77 33.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 111.296 170.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.11 -1.48 26.27 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.28 1.432 . . . . 0.0 113.427 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -57.23 -23.4 47.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.11 1.364 . . . . 0.0 112.478 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -78.62 -8.49 58.69 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.004 1.721 . . . . 0.0 113.691 174.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -148.99 -107.62 0.08 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.096 1.359 . . . . 0.0 112.518 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 166.64 -15.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 129.62 3.168 . . . . 0.0 113.987 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -147.48 -29.23 0.35 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -160.17 153.08 21.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.939 0.895 . . . . 0.0 112.184 -169.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.54 116.74 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.194 1.797 . . . . 0.0 109.212 -172.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -77.59 155.57 31.4 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.209 1.004 . . . . 0.0 111.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.27 -46.66 36.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.367 1.467 . . . . 0.0 114.723 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -69.62 -32.92 71.92 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.049 0.84 . . . . 0.0 111.757 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -70.41 -36.41 74.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.088 0.955 . . . . 0.0 111.677 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.92 -45.51 93.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.929 0.891 . . . . 0.0 111.826 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.0 -35.46 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.27 -0.894 . . . . 0.0 111.774 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 43.4 m -59.09 -45.36 91.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.951 1.301 . . . . 0.0 110.709 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.2 -39.75 95.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.354 0.662 . . . . 0.0 112.456 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.43 -23.83 67.42 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.591 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.57 95.29 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.604 1.093 . . . . 0.0 111.656 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.4 81.97 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.061 0.93 . . . . 0.0 112.414 172.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.55 -39.66 94.15 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.39 0.676 . . . . 0.0 111.398 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.99 95.6 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.99 1.316 . . . . 0.0 112.266 172.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.3 tpt -65.1 -31.37 72.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.76 0.824 . . . . 0.0 112.304 174.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.26 -27.01 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.071 0.948 . . . . 0.0 112.814 172.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -77.5 49.12 0.7 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.387 0.994 . . . . 0.0 111.647 169.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -53.11 -25.3 12.57 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.268 1.827 . . . . 0.0 114.953 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.77 -39.1 73.44 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.38 1.072 . . . . 0.0 112.336 171.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.99 66.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.168 0.987 . . . . 0.0 112.305 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.89 1.11 24.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.403 1.481 . . . . 0.0 112.597 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt . . . . . 0 CA--C 1.545 0.776 0 CA-C-N 119.85 1.205 . . . . 0.0 113.234 169.75 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.184 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -54.28 -34.85 61.76 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.597 1.159 . . . . 0.0 113.741 -171.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -50.71 -29.37 11.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.937 1.695 . . . . 0.0 113.358 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -65.58 -22.82 66.72 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.697 1.199 . . . . 0.0 113.696 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 78.4 t -98.44 -40.46 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.668 1.587 . . . . 0.0 109.703 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.09 -38.0 89.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.946 1.298 . . . . 0.0 111.244 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.64 -18.0 64.54 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -70.83 -23.6 62.37 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.142 -0.974 . . . . 0.0 112.651 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 95.5 mt -76.57 -32.01 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.095 1.358 . . . . 0.0 111.231 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -53.36 -40.8 65.23 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.314 1.045 . . . . 0.0 112.664 171.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -72.13 -0.41 11.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.732 1.613 . . . . 0.0 113.917 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.87 -27.5 66.72 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.239 1.016 . . . . 0.0 112.175 170.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.25 44.64 27.84 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.304 0.954 . . . . 0.0 114.855 169.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.07 132.65 53.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.053 0.927 . . . . 0.0 113.475 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -82.68 -26.2 32.31 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.36 -23.6 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.017 0.826 . . . . 0.0 112.613 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 13.5 tpt -59.99 -46.03 90.79 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.536 0.607 . . . . 0.0 110.222 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -58.28 -33.77 69.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.293 1.037 . . . . 0.0 112.465 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -74.89 -41.19 60.23 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.708 0.685 . . . . 0.0 111.441 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.0 m -63.24 -43.07 99.07 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.33 1.452 . . . . 0.0 111.924 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.35 -33.41 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.818 0.847 . . . . 0.0 112.411 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.54 -56.03 5.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.492 0.717 . . . . 0.0 112.603 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -72.58 -31.26 65.09 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -172.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.17 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.949 1.3 . . . . 0.0 114.358 -173.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 124.514 1.125 . . . . 0.0 112.217 173.068 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.737 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 192' ' ' LEU . . . . . 0.496 ' H ' HD23 ' D' ' 192' ' ' LEU . 2.1 pt? -55.11 -42.29 72.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.744 1.217 . . . . 0.0 113.255 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -55.68 -34.64 65.22 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.571 1.148 . . . . 0.0 112.725 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.01 -22.76 66.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.02 0.928 . . . . 0.0 113.368 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.17 -43.14 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.543 1.537 . . . . 0.0 109.791 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.78 -32.01 72.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.5 1.52 . . . . 0.0 111.994 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.16 -36.2 77.02 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.344 -0.847 . . . . 0.0 112.124 171.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -68.89 -19.29 64.22 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.7 mt -89.89 -42.6 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.184 1.394 . . . . 0.0 110.833 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.85 -44.38 66.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.215 1.006 . . . . 0.0 113.056 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.55 -1.32 20.93 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -75.25 -25.88 58.4 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 137.32 -153.18 21.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.738 1.161 . . . . 0.0 114.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 78.75 143.71 0.08 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 129.534 3.134 . . . . 0.0 112.274 -175.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -144.71 14.42 1.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -169.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -83.65 -20.09 34.22 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.823 -1.173 . . . . 0.0 113.929 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.07 -56.32 23.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.183 0.993 . . . . 0.0 109.833 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -61.18 -28.85 69.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.843 1.257 . . . . 0.0 113.78 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.14 -37.34 72.27 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.531 1.06 . . . . 0.0 111.334 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 29.7 m -73.75 -46.58 44.94 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.194 0.998 . . . . 0.0 111.075 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.02 -40.33 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.598 1.159 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.94 -59.25 5.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.422 0.556 . . . . 0.0 111.859 173.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -62.99 -36.44 83.55 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.749 1.159 . . . . 0.0 113.052 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.61 65.17 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 122.984 0.513 . . . . 0.0 110.32 169.241 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -59.71 -29.42 5.77 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.13 -42.55 17.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.583 2.189 . . . . 0.0 112.395 170.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 tp -74.39 -39.04 62.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.724 0.693 . . . . 0.0 111.714 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.4 -43.41 88.54 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.401 1.081 . . . . 0.0 112.752 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -73.5 -13.81 61.11 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.77 -53.66 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.95 -1.094 . . . . 0.0 111.591 169.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 pt -61.46 -35.62 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.563 1.074 . . . . 0.0 112.063 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.51 67.93 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.894 1.235 . . . . 0.0 113.871 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -57.1 5.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.795 1.238 . . . . 0.0 109.62 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.11 -36.71 68.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.781 1.232 . . . . 0.0 111.805 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -44.5 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 118.757 0.708 . . . . 0.0 111.634 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.27 -34.18 51.88 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.382 -0.677 . . . . 0.0 112.888 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -57.28 -48.55 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.152 0.976 . . . . 0.0 110.643 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -70.3 -53.88 14.96 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.784 0.833 . . . . 0.0 112.093 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.54 -20.38 62.81 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -54.18 -39.09 66.31 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.8 0.84 . . . . 0.0 111.21 169.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -83.0 -30.46 28.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.369 1.468 . . . . 0.0 114.581 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -65.74 -46.44 78.84 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.183 0.901 . . . . 0.0 112.094 169.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.87 -13.83 69.72 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.356 1.455 . . . . 0.0 114.37 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 124.32 1.048 . . . . 0.0 111.07 169.679 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 119.633 -0.222 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -73.78 37.09 0.09 Allowed 'General case' 0 CA--C 1.559 1.302 0 O-C-N 120.025 -1.672 . . . . 0.0 114.856 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.86 158.63 43.85 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.377 2.271 . . . . 0.0 111.172 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 pp -160.36 164.31 32.55 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.722 1.609 . . . . 0.0 111.386 169.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 p -78.61 155.62 29.5 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.198 -1.564 . . . . 0.0 112.359 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -62.1 -24.25 67.01 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.759 -1.213 . . . . 0.0 113.862 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.08 -44.64 65.28 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.96 -1.087 . . . . 0.0 111.724 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.18 -31.33 71.65 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.672 0.789 . . . . 0.0 112.151 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD11 HD13 ' A' ' 60' ' ' LEU . 1.3 tm? -59.24 -48.98 79.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.189 1.396 . . . . 0.0 110.213 169.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.27 -32.7 74.39 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.729 -1.232 . . . . 0.0 111.799 175.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.57 -44.41 97.08 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.746 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.46 1.104 . . . . 0.0 110.779 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.83 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 117.868 0.304 . . . . 0.0 111.148 -176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -76.08 -23.54 55.0 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.614 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -87.58 -39.14 15.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 171.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -86.48 -56.53 3.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.111 0.869 . . . . 0.0 110.875 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.72 48.08 1.34 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.5 1.52 . . . . 0.0 110.747 -169.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 128.573 2.749 . . . . 0.0 114.008 -169.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 118.623 -0.703 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -54.8 -33.59 61.68 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.148 1.34 . . . . 0.0 113.337 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -28.14 69.58 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.576 1.15 . . . . 0.0 113.479 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -80.85 -42.02 22.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.169 0.988 . . . . 0.0 110.299 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -64.33 -36.7 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.469 -0.769 . . . . 0.0 111.763 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.22 -31.13 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.784 1.174 . . . . 0.0 112.503 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -74.79 -31.39 61.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.226 0.921 . . . . 0.0 112.044 173.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -67.08 -40.33 86.96 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.465 -0.772 . . . . 0.0 110.995 169.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -64.18 -35.04 79.51 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.48 1.112 . . . . 0.0 111.755 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.6 -29.04 69.59 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.887 1.275 . . . . 0.0 113.426 169.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.67 -26.93 37.29 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.94 -1.1 . . . . 0.0 112.804 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 34' ' ' LEU . 1.9 mt -72.83 -36.09 67.41 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.308 -0.87 . . . . 0.0 110.384 169.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.16 -28.08 69.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.023 1.329 . . . . 0.0 112.099 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.04 -29.34 70.23 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.529 -0.732 . . . . 0.0 112.152 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -76.16 -35.8 59.03 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.689 0.677 . . . . 0.0 112.479 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -157.67 121.41 4.11 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.55 1.54 . . . . 0.0 110.611 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.27 130.59 46.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.418 1.487 . . . . 0.0 113.503 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 72.3 -43.55 0.57 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.497 2.719 . . . . 0.0 114.186 169.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -124.32 115.56 21.2 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.233 2.213 . . . . 0.0 108.651 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.72 118.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 125.277 1.431 . . . . 0.0 108.189 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -83.67 150.28 25.97 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.267 1.027 . . . . 0.0 110.449 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.61 -42.62 62.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.175 1.39 . . . . 0.0 114.567 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.54 -42.92 95.44 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 111.061 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.47 -27.09 62.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.848 1.259 . . . . 0.0 112.324 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.65 -45.53 78.71 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.461 1.104 . . . . 0.0 111.04 169.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.1 mt -70.17 -32.59 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.209 -0.932 . . . . 0.0 111.362 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.9 m -58.19 -38.53 76.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.387 1.075 . . . . 0.0 111.315 172.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -69.78 -41.6 74.92 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.56 0.744 . . . . 0.0 112.439 172.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.21 -27.8 66.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.351 0.978 . . . . 0.0 111.606 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.67 -27.52 73.28 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.079 1.323 . . . . 0.0 114.147 171.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.24 -44.04 18.35 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.099 1.449 . . . . 0.0 110.788 169.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -53.71 -43.46 69.02 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.072 1.349 . . . . 0.0 111.618 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.95 -27.66 45.3 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.687 1.595 . . . . 0.0 114.019 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -80.27 -31.47 38.36 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.578 1.151 . . . . 0.0 112.648 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.32 -35.83 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.145 0.978 . . . . 0.0 110.163 170.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.81 39.33 0.07 Allowed 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.543 2.337 . . . . 0.0 112.987 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.77 -22.97 10.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 128.589 2.756 . . . . 0.0 118.138 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.23 -19.13 65.82 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 121.368 1.894 . . . . 0.0 112.635 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.6 64.23 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.269 0.94 . . . . 0.0 113.414 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.67 -18.99 26.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.063 1.345 . . . . 0.0 111.536 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -89.53 -44.66 9.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.665 1.586 . . . . 0.0 112.034 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 C-N-CA 126.439 1.971 . . . . 0.0 112.283 -173.182 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.77 -13.89 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.1 p -49.41 -42.4 64.86 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -65.56 -27.56 53.58 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.926 2.417 . . . . 0.0 113.878 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 tp -82.64 -38.77 23.02 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.578 1.081 . . . . 0.0 112.169 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.14 -36.07 76.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.306 1.042 . . . . 0.0 112.492 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -72.17 -19.53 61.74 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 172.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.02 -54.47 5.04 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.553 1.069 . . . . 0.0 112.202 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.44 -35.88 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.42 -0.8 . . . . 0.0 111.145 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.7 -24.16 67.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 121.489 -0.757 . . . . 0.0 113.166 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -52.55 19.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.947 1.374 . . . . 0.0 109.551 176.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.58 -42.49 83.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.842 0.857 . . . . 0.0 111.241 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.27 -43.86 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.545 0.611 . . . . 0.0 111.08 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.75 -31.47 73.17 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.51 1.052 . . . . 0.0 112.897 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mt -69.01 -54.99 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.31 -59.1 5.64 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.793 1.237 . . . . 0.0 113.676 -172.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -69.94 -17.21 63.31 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -169.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.54 -38.35 80.8 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.734 -1.229 . . . . 0.0 112.673 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.403 ' CZ ' ' HA ' ' B' ' 37' ' ' LEU . 95.7 m-85 -79.02 -33.28 45.02 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -174.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -74.74 -40.41 61.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.071 0.851 . . . . 0.0 110.777 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.32 -16.06 13.45 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 126.237 1.875 . . . . 0.0 114.398 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.18 -35.79 70.02 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.124 1.369 . . . . 0.0 112.033 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -127.18 -24.54 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.235 1.414 . . . . 0.0 114.323 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.87 165.26 38.76 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-N 119.96 1.255 . . . . 0.0 114.664 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -74.58 -9.14 58.28 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.96 151.16 26.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.197 1.399 . . . . 0.0 113.547 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 33.44 1.82 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.137 1.775 . . . . 0.0 113.418 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -124.73 135.56 53.11 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.167 1.787 . . . . 0.0 110.123 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -108.23 129.75 55.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.538 1.135 . . . . 0.0 111.191 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -79.47 161.34 26.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.696 0.798 . . . . 0.0 112.457 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -48.97 -52.5 24.5 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.487 -1.383 . . . . 0.0 113.358 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -66.72 -31.28 71.84 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.804 1.642 . . . . 0.0 113.135 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.25 -35.68 58.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.441 1.896 . . . . 0.0 110.624 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.42 -42.09 75.48 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.558 1.143 . . . . 0.0 110.074 169.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -60.68 -36.33 78.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.734 -1.229 . . . . 0.0 111.711 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.02 -45.32 89.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.328 1.051 . . . . 0.0 112.141 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.403 ' HA ' ' CZ ' ' B' ' 19' ' ' TYR . 6.4 tt -52.81 -49.05 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.457 1.103 . . . . 0.0 111.927 170.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.92 -54.06 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 118.433 0.56 . . . . 0.0 111.812 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -65.07 -29.35 70.23 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -86.33 -46.6 10.14 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -85.52 -44.62 12.53 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.94 0.791 . . . . 0.0 111.231 -172.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.43 -69.73 0.56 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.305 0.957 . . . . 0.0 108.433 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.486 1.334 1 C-N-CA 132.931 4.493 . . . . 0.0 107.895 -176.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 CA--C 1.538 0.492 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.03 -32.79 72.4 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.834 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.59 -27.63 68.77 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.704 1.202 . . . . 0.0 113.324 169.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.77 -39.78 26.25 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.607 0.763 . . . . 0.0 110.768 170.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.8 -37.55 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.102 -0.952 . . . . 0.0 112.167 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.78 -30.54 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.416 1.462 . . . . 0.0 112.278 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -73.4 -38.14 65.71 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.479 -0.763 . . . . 0.0 112.094 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.35 -37.08 84.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.326 -0.859 . . . . 0.0 111.803 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -60.33 -39.05 85.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.013 0.925 . . . . 0.0 111.319 170.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.86 -31.61 72.93 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.348 1.059 . . . . 0.0 113.581 170.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.75 -20.28 58.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.321 1.048 . . . . 0.0 113.741 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -81.08 -43.19 19.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.477 1.111 . . . . 0.0 110.359 169.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.64 -18.92 61.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.02 1.728 . . . . 0.0 113.372 171.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -53.84 -33.2 55.53 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.155 1.382 . . . . 0.0 112.327 170.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.51 -42.08 68.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.943 0.897 . . . . 0.0 112.682 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -163.2 133.78 4.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.331 1.852 . . . . 0.0 110.793 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.58 136.17 47.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.884 0.873 . . . . 0.0 113.009 -174.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 76.04 -28.02 0.18 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 129.194 2.998 . . . . 0.0 113.075 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -153.69 140.9 19.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.0 1.72 . . . . 0.0 110.55 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.39 130.44 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.712 2.005 . . . . 0.0 108.802 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.94 159.26 26.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.844 0.83 . . . . 0.0 112.699 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.13 -56.15 1.51 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.862 2.465 . . . . 0.0 114.714 171.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.26 -35.79 82.0 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.485 1.039 . . . . 0.0 111.836 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.82 -32.68 65.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.63 1.172 . . . . 0.0 112.051 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.59 -44.46 90.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.063 0.945 . . . . 0.0 111.358 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 49.6 mm -63.87 -42.07 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 O-C-N 121.617 -0.677 . . . . 0.0 111.012 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.7 m -59.09 -45.1 91.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.236 1.414 . . . . 0.0 111.048 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.44 -41.58 96.48 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.172 0.589 . . . . 0.0 112.27 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.33 -28.78 68.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.291 0.95 . . . . 0.0 112.198 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.7 91.4 Favored Glycine 0 N--CA 1.468 0.812 0 CA-C-N 119.026 0.83 . . . . 0.0 112.589 170.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.54 95.11 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.926 0.863 . . . . 0.0 112.157 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.29 -46.4 88.65 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.683 1.193 . . . . 0.0 110.963 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.4 72.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.28 1.032 . . . . 0.0 112.545 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.6 ttt -69.28 -24.24 63.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.977 0.911 . . . . 0.0 112.78 175.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.25 -25.33 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.046 0.839 . . . . 0.0 111.205 173.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' TYR . . . . . 0.402 ' HA ' ' CE1' ' C' ' 200' ' ' TYR . 88.3 m-85 -73.38 44.41 0.15 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.693 1.235 . . . . 0.0 110.876 168.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.04 -14.63 50.45 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.793 2.037 . . . . 0.0 115.132 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -54.99 -34.22 63.21 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.821 1.191 . . . . 0.0 111.693 169.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.98 52.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.537 1.535 . . . . 0.0 114.536 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 70.2 mt -124.75 -19.24 5.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.0 2.12 . . . . 0.0 112.97 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 125.954 1.701 . . . . 0.0 112.196 174.914 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.274 0 N-CA-C 115.627 1.011 . . . . 0.0 115.627 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.24 -69.2 0.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.054 1.342 . . . . 0.0 110.112 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -57.08 -29.26 63.32 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.336 1.055 . . . . 0.0 112.399 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.87 -23.7 67.45 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 63.2 t -95.95 -34.06 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.399 1.08 . . . . 0.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.57 -29.42 65.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.189 1.396 . . . . 0.0 111.798 173.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -57.38 -30.64 65.06 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.774 1.23 . . . . 0.0 112.582 170.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.48 -20.81 66.42 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.779 0.832 . . . . 0.0 112.732 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 23.9 mt -88.05 -45.59 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.096 1.359 . . . . 0.0 111.142 170.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 200' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' B' ' 84' ' ' TYR . 13.3 t80 -54.86 -39.89 69.12 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 177.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.92 -9.16 57.26 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -98.92 -46.6 5.57 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.358 1.463 . . . . 0.0 109.82 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 66.91 -153.69 52.76 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.317 1.437 . . . . 0.0 115.3 169.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -159.52 156.87 28.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.166 1.786 . . . . 0.0 110.605 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -95.47 -23.59 17.05 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.609 1.564 . . . . 0.0 112.36 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -76.03 -21.43 56.85 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.452 -0.78 . . . . 0.0 113.028 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 51.7 tpp -54.81 -46.0 74.45 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.331 1.052 . . . . 0.0 110.547 171.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -57.87 -39.73 78.51 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.445 1.098 . . . . 0.0 112.195 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -75.52 -33.77 60.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.099 0.96 . . . . 0.0 112.405 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 44.1 m -72.86 -38.13 67.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.298 1.039 . . . . 0.0 112.077 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.21 -45.76 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.745 0.702 . . . . 0.0 109.716 174.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.45 -48.95 79.68 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.507 -0.746 . . . . 0.0 112.179 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -49.45 -56.27 10.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.94 1.296 . . . . 0.0 111.278 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.72 -21.9 66.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 13.3 m95 . . . . . 0 CA--C 1.542 0.665 0 CA-C-N 118.683 0.674 . . . . 0.0 112.475 170.514 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.335 0 N-CA-C 115.272 0.869 . . . . 0.0 115.272 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.87 -41.61 71.05 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.975 1.31 . . . . 0.0 113.121 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -57.63 -24.95 59.25 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 125.384 1.474 . . . . 0.0 113.719 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.62 -23.12 64.4 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.79 -38.68 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.455 1.102 . . . . 0.0 109.262 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.76 -36.21 82.34 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.749 1.62 . . . . 0.0 111.089 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.7 -36.19 69.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.397 1.079 . . . . 0.0 112.934 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.61 -24.27 66.57 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.129 -0.982 . . . . 0.0 112.677 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 18.6 mm -83.63 -39.43 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.78 1.232 . . . . 0.0 111.595 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -66.8 -39.01 87.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.637 0.732 . . . . 0.0 111.979 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.72 0.36 27.04 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.389 1.076 . . . . 0.0 113.523 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.97 -22.32 64.11 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.781 0.832 . . . . 0.0 112.088 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 94.77 148.49 24.21 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.943 1.735 . . . . 0.0 114.342 171.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -163.55 174.42 11.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.549 1.94 . . . . 0.0 110.527 174.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -133.62 -15.0 2.45 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.321 1.849 . . . . 0.0 113.344 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.48 -35.79 73.47 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.516 1.053 . . . . 0.0 113.591 -172.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 56.3 ttm -46.42 -46.71 18.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.704 1.202 . . . . 0.0 112.173 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.52 -22.41 66.71 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.067 0.947 . . . . 0.0 113.118 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.517 1.127 . . . . 0.0 111.139 171.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 77.2 m -65.23 -43.24 92.05 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.81 1.644 . . . . 0.0 112.726 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 27.6 mm -64.91 -41.07 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.741 0.701 . . . . 0.0 110.87 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.08 -50.14 74.9 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.862 0.465 . . . . 0.0 111.219 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -55.51 -55.75 28.26 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.273 -0.892 . . . . 0.0 112.118 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.22 -28.01 66.27 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.598 1.09 . . . . 0.0 113.719 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 72.8 t90 . . . . . 0 CA--C 1.543 0.686 0 O-C-N 121.432 -0.792 . . . . 0.0 112.646 172.47 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -38.91 -50.2 4.04 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.548 2.339 . . . . 0.0 117.029 -169.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.66 -33.85 43.47 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 121.911 1.718 . . . . 0.0 113.095 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.73 -37.07 27.87 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.173 0.897 . . . . 0.0 112.687 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -60.73 -34.79 74.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.531 1.932 . . . . 0.0 112.405 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -72.51 -27.33 62.19 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.61 -48.04 13.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.554 1.07 . . . . 0.0 112.349 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -63.95 -34.83 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 121.383 -0.823 . . . . 0.0 110.883 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -24.23 66.93 Favored Glycine 0 C--N 1.345 1.049 0 C-N-CA 124.763 1.173 . . . . 0.0 113.178 171.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -51.65 20.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.989 1.395 . . . . 0.0 110.161 174.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.7 -40.63 79.96 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.13 -51.99 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.526 0.73 . . . . 0.0 110.481 172.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.87 -27.22 73.26 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.329 0.966 . . . . 0.0 114.154 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.9 mt -71.8 -57.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.445 1.098 . . . . 0.0 110.386 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -59.6 -46.01 90.2 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.406 1.003 . . . . 0.0 111.685 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -73.86 -11.68 60.44 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.29 -47.0 71.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 110.643 169.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.96 -36.71 27.67 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.106 1.362 . . . . 0.0 113.879 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -71.02 -22.56 62.13 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.807 -1.183 . . . . 0.0 112.575 174.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.36 76.72 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.255 0.931 . . . . 0.0 113.165 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt . . . . . 0 CA--C 1.545 0.782 0 CA-C-N 118.586 1.193 . . . . 0.0 111.267 173.208 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 tttm . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -90.87 6.39 44.65 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 120.416 -1.427 . . . . 0.0 114.557 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.9 165.34 26.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.483 1.913 . . . . 0.0 112.516 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.8 mt -130.46 138.0 50.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.829 1.651 . . . . 0.0 108.589 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 m -77.61 149.96 34.71 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.956 -1.09 . . . . 0.0 109.041 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -57.88 -37.57 74.2 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.408 -1.432 . . . . 0.0 113.825 -170.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -68.34 -26.82 65.79 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -79.13 -35.27 42.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.36 1.064 . . . . 0.0 111.087 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -61.1 -44.07 97.91 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.078 0.951 . . . . 0.0 110.011 169.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.48 -41.83 77.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.685 -1.26 . . . . 0.0 111.929 171.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -50.23 74.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.636 0.774 . . . . 0.0 111.418 172.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.87 -52.28 50.72 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.263 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.65 -48.65 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.503 1.047 . . . . 0.0 111.911 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.55 -27.16 66.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.863 0.465 . . . . 0.0 112.201 -176.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -52.89 5.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.995 0.816 . . . . 0.0 112.894 174.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.3 -42.34 54.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.508 -169.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -84.16 -76.28 0.31 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.127 -0.939 . . . . 0.0 109.246 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.485 1.283 0 C-N-CA 131.373 3.869 . . . . 0.0 108.898 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.47 -16.97 64.51 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 120.799 -1.188 . . . . 0.0 111.973 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 -27.44 68.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.229 1.412 . . . . 0.0 113.028 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.49 -40.54 25.94 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.162 0.585 . . . . 0.0 109.803 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.33 -28.36 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.388 -0.82 . . . . 0.0 112.607 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.16 -36.27 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-N 120.985 1.721 . . . . 0.0 112.209 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.57 -43.94 75.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.915 0.78 . . . . 0.0 111.551 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.07 -40.56 96.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.862 0.865 . . . . 0.0 112.37 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 ttp -58.54 -41.84 86.45 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.031 0.932 . . . . 0.0 111.05 172.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.3 -29.2 63.63 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.486 0.714 . . . . 0.0 112.846 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -73.02 -24.76 60.77 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.98 1.312 . . . . 0.0 112.653 171.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -80.47 -44.6 18.93 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.588 . . . . 0.0 111.418 170.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -61.21 -14.79 28.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.42 1.888 . . . . 0.0 113.772 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -49.63 -21.96 1.18 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.049 2.139 . . . . 0.0 112.745 169.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.85 -43.49 38.8 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.208 1.803 . . . . 0.0 113.91 169.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -156.66 -108.33 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.024 1.33 . . . . 0.0 112.345 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -134.87 -43.06 0.74 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.179 1.354 . . . . 0.0 114.651 -169.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -138.04 0.49 2.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.281 1.832 . . . . 0.0 112.128 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.21 150.8 43.16 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.045 1.738 . . . . 0.0 113.822 -169.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 t -107.51 139.97 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 128.763 2.825 . . . . 0.0 107.552 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -107.88 154.09 22.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.875 0.87 . . . . 0.0 111.519 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.88 -49.17 66.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -63.05 -39.85 95.97 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.896 0.771 . . . . 0.0 111.43 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -74.65 -31.58 61.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.873 1.269 . . . . 0.0 111.29 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.16 -44.97 95.44 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.97 0.908 . . . . 0.0 111.045 169.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.56 -38.11 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.534 -0.729 . . . . 0.0 111.3 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -57.91 -43.93 86.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.147 0.979 . . . . 0.0 110.891 172.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.63 -37.16 85.78 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 174.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.95 -26.73 68.96 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.852 1.205 . . . . 0.0 111.699 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.3 -35.82 77.52 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.036 0.827 . . . . 0.0 112.983 169.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -42.27 78.28 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.419 1.109 . . . . 0.0 111.526 170.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.43 -44.03 96.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 110.494 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -33.16 74.68 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.13 1.372 . . . . 0.0 113.507 172.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -68.84 -38.92 80.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.961 0.904 . . . . 0.0 111.625 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.94 -35.22 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.095 0.958 . . . . 0.0 112.059 170.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.93 42.42 0.07 Allowed 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 125.566 1.546 . . . . 0.0 112.382 169.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -52.18 -26.29 11.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.192 2.997 . . . . 0.0 116.649 -169.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.861 1.209 . . . . 0.0 111.776 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.28 -14.91 62.37 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.1 mt -102.8 6.05 39.07 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.824 2.05 . . . . 0.0 112.505 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.42 -38.74 5.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.448 1.499 . . . . 0.0 111.778 171.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 C-N-CA 125.701 1.619 . . . . 0.0 114.041 175.612 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 75.78 -51.37 0.63 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 129.612 3.165 . . . . 0.0 112.644 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -47.09 -45.81 53.5 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.563 1.545 . . . . 0.0 114.875 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.28 -43.92 21.24 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.956 2.437 . . . . 0.0 113.553 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 tp -78.3 -39.51 39.57 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.021 0.828 . . . . 0.0 111.277 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.44 -37.43 85.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.863 1.265 . . . . 0.0 112.535 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -74.06 -29.52 61.94 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.446 0.566 . . . . 0.0 112.339 172.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.81 41.45 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.566 1.075 . . . . 0.0 112.107 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -64.34 -34.27 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.143 -0.973 . . . . 0.0 110.514 172.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.84 -28.44 72.67 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.78 1.181 . . . . 0.0 113.801 171.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -51.87 53.99 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.177 1.489 . . . . 0.0 110.13 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.23 -41.26 83.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.148 0.979 . . . . 0.0 111.509 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.42 -42.66 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 118.534 0.606 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.16 -36.09 64.02 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.186 0.898 . . . . 0.0 113.293 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.88 -42.4 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.358 1.063 . . . . 0.0 110.906 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -76.4 -51.64 11.45 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -175.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -70.01 -25.07 63.42 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -169.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -54.15 -44.32 71.34 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.2 1.0 . . . . 0.0 112.681 171.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -81.5 -27.2 34.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.692 1.197 . . . . 0.0 113.667 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -64.64 -50.24 67.89 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.288 -0.882 . . . . 0.0 112.009 171.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.27 -9.36 87.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.684 1.135 . . . . 0.0 114.005 -175.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -57.94 -38.75 76.52 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.817 1.309 . . . . 0.0 113.048 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -108.64 3.84 23.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.082 1.353 . . . . 0.0 113.09 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.51 11.62 79.75 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.59 1.091 . . . . 0.0 115.135 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.22 172.25 13.85 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.073 1.349 . . . . 0.0 112.347 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 176.91 0.87 Allowed 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.998 -1.064 . . . . 0.0 112.377 170.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -67.82 73.06 0.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.638 1.975 . . . . 0.0 112.813 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -161.05 148.12 15.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.534 2.734 . . . . 0.0 108.671 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -121.43 133.05 55.06 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.581 1.153 . . . . 0.0 111.384 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.5 p -80.89 166.22 21.09 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.13 -0.981 . . . . 0.0 110.164 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -56.07 -42.87 77.36 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.323 -1.486 . . . . 0.0 113.009 -171.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -35.57 79.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.194 0.998 . . . . 0.0 113.441 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -75.18 -36.44 61.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.461 0.705 . . . . 0.0 110.874 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.11 -47.79 84.63 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.627 1.171 . . . . 0.0 109.949 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -56.6 -40.04 74.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.592 1.087 . . . . 0.0 112.048 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.49 -42.44 98.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.04 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.11 -59.28 5.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.921 0.782 . . . . 0.0 110.868 169.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.9 pt -68.65 -27.85 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -171.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -79.4 -39.36 32.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.632 1.105 . . . . 0.0 112.355 172.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -31.15 21.2 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.759 1.618 . . . . 0.0 112.874 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -85.7 -44.34 12.64 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.7 -1.25 . . . . 0.0 112.848 177.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.51 -6.85 24.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -173.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p . . . . . 0 N--CA 1.478 0.96 0 C-N-CA 128.443 2.697 . . . . 0.0 114.744 169.848 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.96 -23.03 67.21 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.062 -1.649 . . . . 0.0 112.604 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.13 72.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.68 1.192 . . . . 0.0 112.707 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -81.56 -31.84 32.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.756 0.822 . . . . 0.0 110.689 169.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.2 mm -61.34 -45.32 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.558 1.072 . . . . 0.0 111.82 172.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.98 -26.88 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.535 1.061 . . . . 0.0 112.973 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.07 -30.91 44.24 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.0 0.818 . . . . 0.0 112.703 169.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -41.67 96.07 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.947 1.248 . . . . 0.0 110.451 169.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.8 mtp -59.86 -39.42 85.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.933 0.893 . . . . 0.0 111.403 174.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.58 -29.33 62.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.021 1.328 . . . . 0.0 112.572 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.77 -25.4 49.07 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.333 1.053 . . . . 0.0 112.841 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.46 -51.18 25.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.25 1.42 . . . . 0.0 109.304 169.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.98 -18.52 60.7 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.833 1.653 . . . . 0.0 114.337 176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -52.68 -23.18 6.15 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.337 1.455 . . . . 0.0 112.894 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -59.4 -24.47 63.48 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -152.08 -101.53 0.05 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.423 1.489 . . . . 0.0 111.794 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.79 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -136.54 -5.4 2.01 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.182 0.993 . . . . 0.0 113.622 -176.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -161.41 162.32 30.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.185 1.394 . . . . 0.0 112.395 -169.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.1 t -117.75 112.09 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 126.612 1.965 . . . . 0.0 107.816 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -81.13 155.62 26.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 122.521 0.328 . . . . 0.0 110.415 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -50.56 -47.15 57.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -57.2 -43.09 82.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.968 0.804 . . . . 0.0 111.758 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -74.26 -29.72 61.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.755 0.822 . . . . 0.0 112.037 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.26 -42.17 96.59 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.635 -0.666 . . . . 0.0 111.905 170.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.82 -43.58 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.286 -0.884 . . . . 0.0 111.083 174.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.6 m -60.47 -38.53 84.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.972 0.909 . . . . 0.0 111.915 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.24 -39.34 92.57 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.791 . . . . 0.0 112.488 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.63 1.105 . . . . 0.0 111.891 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.74 94.2 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.92 0.771 . . . . 0.0 111.958 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.38 86.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.386 1.093 . . . . 0.0 112.04 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 20.3 tp -56.78 -42.75 79.98 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.418 1.487 . . . . 0.0 111.578 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.24 -36.53 75.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.57 0.748 . . . . 0.0 112.679 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.5 mtm -71.14 -27.42 63.55 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.458 1.026 . . . . 0.0 113.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.24 -43.17 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.364 0.984 . . . . 0.0 109.267 169.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -74.09 39.97 0.12 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.288 2.235 . . . . 0.0 113.29 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -52.84 -23.99 8.11 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.866 2.466 . . . . 0.0 116.194 -169.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.52 -31.14 72.05 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.169 1.349 . . . . 0.0 112.253 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.68 68.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.525 0.73 . . . . 0.0 112.754 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.93 -43.26 25.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.239 1.416 . . . . 0.0 110.097 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 124.369 1.068 . . . . 0.0 112.366 175.855 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.141 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.9 -33.82 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.813 1.245 . . . . 0.0 113.015 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -58.84 -30.67 67.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.979 1.312 . . . . 0.0 113.0 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -72.33 -13.17 61.42 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.694 1.134 . . . . 0.0 113.075 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 -47.36 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.747 1.219 . . . . 0.0 109.358 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.5 mt -68.22 -28.56 67.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.261 1.424 . . . . 0.0 113.978 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.0 -29.98 70.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.549 1.068 . . . . 0.0 111.911 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.31 -31.45 69.94 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.144 -0.973 . . . . 0.0 111.75 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.2 mp -77.2 -39.28 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.28 1.432 . . . . 0.0 111.145 172.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -54.84 -43.82 73.38 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.306 -0.871 . . . . 0.0 111.992 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.5 -0.35 37.07 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.11 -33.35 59.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.124 0.97 . . . . 0.0 112.533 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 166.5 155.35 8.85 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.819 1.2 . . . . 0.0 115.124 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -172.5 157.91 4.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.909 2.484 . . . . 0.0 110.757 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -159.45 -61.45 0.07 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.546 0.738 . . . . 0.0 112.36 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.95 -23.23 65.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.638 0.775 . . . . 0.0 112.831 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 55.1 ttm -41.16 -46.01 2.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.534 1.934 . . . . 0.0 113.611 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.2 -30.77 25.5 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.222 1.009 . . . . 0.0 112.933 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -83.4 -49.44 9.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 -173.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 99.1 m -61.03 -45.28 95.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.857 1.263 . . . . 0.0 112.831 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 39.1 pt -59.52 -30.59 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.156 0.983 . . . . 0.0 113.493 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -77.58 -45.64 24.62 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.634 0.774 . . . . 0.0 110.751 173.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -58.37 -48.06 81.82 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.169 -0.957 . . . . 0.0 112.12 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.59 70.99 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.811 0.845 . . . . 0.0 113.217 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 84.1 t90 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 123.408 0.683 . . . . 0.0 111.838 170.557 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -55.82 -33.96 64.92 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.475 1.637 . . . . 0.0 113.746 -171.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.3 ptp -50.22 -30.97 12.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.008 1.323 . . . . 0.0 114.432 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -72.07 -20.91 61.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.06 -39.61 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.254 1.422 . . . . 0.0 108.844 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.93 -38.99 83.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.109 1.364 . . . . 0.0 110.703 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -58.26 -29.88 66.14 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.209 -0.932 . . . . 0.0 112.709 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -63.82 -18.57 64.25 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.993 -1.692 . . . . 0.0 113.404 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 16.8 mt -81.83 -34.35 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.701 1.2 . . . . 0.0 111.75 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -38.12 84.93 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.816 -1.178 . . . . 0.0 110.274 172.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.72 -0.5 15.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.915 1.686 . . . . 0.0 113.576 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -109.08 -43.41 4.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.552 1.541 . . . . 0.0 112.925 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -147.22 137.7 6.8 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.35 0.976 . . . . 0.0 114.341 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -173.9 120.2 0.29 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.526 2.33 . . . . 0.0 110.021 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -167.9 -58.58 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.646 1.178 . . . . 0.0 111.628 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -72.18 -26.9 62.25 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.9 ttm -53.26 -54.2 39.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.414 0.552 . . . . 0.0 109.663 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -64.49 -29.54 70.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.204 1.001 . . . . 0.0 112.458 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.969 0.908 . . . . 0.0 112.102 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 37.7 m -78.19 -42.35 31.76 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.612 1.565 . . . . 0.0 111.943 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.29 -46.93 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 118.969 0.804 . . . . 0.0 110.513 172.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -54.71 -59.51 4.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 111.755 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.2 -37.74 86.47 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.882 -1.136 . . . . 0.0 113.278 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.73 78.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 18.5 m95 . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 123.559 0.743 . . . . 0.0 112.523 172.335 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 tpt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.32 14.33 2.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.58 1.952 . . . . 0.0 116.25 -168.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -41.99 -48.45 11.01 Favored Pre-proline 0 N--CA 1.471 0.609 0 N-CA-C 116.725 2.12 . . . . 0.0 116.725 -170.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -63.58 -44.47 13.98 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.203 1.935 . . . . 0.0 112.547 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.6 tp -78.95 -39.24 34.99 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.187 0.449 . . . . 0.0 111.436 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -62.0 -37.78 86.14 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.924 0.49 . . . . 0.0 110.851 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -74.79 -27.82 60.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.33 -45.53 62.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.551 1.069 . . . . 0.0 112.132 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.0 pt -66.13 -28.25 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 CA-C-N 119.331 0.969 . . . . 0.0 111.3 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.21 -30.2 76.34 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.168 1.366 . . . . 0.0 113.359 170.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -50.51 69.63 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.01 1.405 . . . . 0.0 110.03 172.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.02 -39.88 83.29 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.994 0.917 . . . . 0.0 111.74 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.09 -49.27 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 119.693 1.133 . . . . 0.0 111.317 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -26.83 73.65 Favored Glycine 0 C--N 1.341 0.82 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.86 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.69 -57.21 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.343 1.071 . . . . 0.0 109.587 168.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.55 -48.23 82.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.341 1.056 . . . . 0.0 113.158 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -72.76 -14.34 61.52 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -169.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -57.15 -43.92 82.93 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 121.066 -1.021 . . . . 0.0 111.475 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 93.5 m-85 -80.65 -34.15 35.1 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.703 1.201 . . . . 0.0 112.937 -170.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 p -72.08 -38.85 69.31 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.963 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.82 -12.29 20.57 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 126.317 1.913 . . . . 0.0 114.665 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.81 -22.32 65.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.432 1.093 . . . . 0.0 112.962 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -128.12 -23.76 3.25 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.39 -172.58 45.6 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 120.077 1.308 . . . . 0.0 115.641 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.72 -4.4 37.22 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -59.38 152.99 20.01 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -169.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.465 ' CD2' HD21 ' A' ' 69' ' ' ASN . 0.4 OUTLIER -96.27 22.16 8.09 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.036 2.135 . . . . 0.0 113.671 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -127.61 158.16 38.26 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.083 2.153 . . . . 0.0 111.046 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.31 130.17 51.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.722 1.209 . . . . 0.0 110.204 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -76.53 155.23 33.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.245 0.618 . . . . 0.0 109.756 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -52.78 -37.9 60.31 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -169.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -77.98 -28.09 49.28 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.37 -34.93 61.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.674 1.189 . . . . 0.0 111.247 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.406 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.4 tm? -61.3 -46.46 90.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.705 1.602 . . . . 0.0 109.243 169.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.56 -37.03 84.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.032 -1.043 . . . . 0.0 112.609 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -49.51 76.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.488 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 8.6 tt -51.84 -51.04 59.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.916 1.234 . . . . 0.0 110.77 171.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.03 -50.24 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.297 0.953 . . . . 0.0 111.962 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -67.85 -33.11 74.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.485 1.039 . . . . 0.0 113.314 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -84.99 -27.23 26.59 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -83.9 -51.99 6.72 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.049 0.84 . . . . 0.0 111.524 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -101.26 79.83 2.03 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.243 1.817 . . . . 0.0 108.161 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -70.86 68.07 0.41 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.668 1.987 . . . . 0.0 113.882 -170.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -76.1 35.58 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.48 1.912 . . . . 0.0 113.481 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.61 124.8 34.73 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.873 1.225 . . . . 0.0 112.263 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m 74.13 -2.79 2.7 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.04 2.136 . . . . 0.0 114.473 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -79.73 159.86 26.45 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.809 -1.182 . . . . 0.0 111.94 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mp -75.61 -9.53 58.66 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.237 1.415 . . . . 0.0 113.815 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -68.87 -5.19 19.62 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.22 -28.89 68.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 121.45 1.932 . . . . 0.0 112.845 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.89 -27.19 68.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.464 1.106 . . . . 0.0 112.937 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.02 -34.76 32.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.622 0.769 . . . . 0.0 109.961 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.3 mm -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.215 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.12 -26.82 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 120.598 1.545 . . . . 0.0 112.657 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -77.92 -38.15 46.22 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.79 0.723 . . . . 0.0 112.402 169.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.6 -40.0 90.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.251 1.02 . . . . 0.0 110.903 173.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.5 ttp -59.76 -43.55 94.25 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.116 1.766 . . . . 0.0 111.339 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.68 -33.17 75.32 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.77 1.168 . . . . 0.0 113.184 172.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -68.72 -36.64 78.68 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.16 0.891 . . . . 0.0 112.458 172.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.98 -46.29 57.83 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.266 1.426 . . . . 0.0 111.743 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.64 -16.83 63.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.318 1.847 . . . . 0.0 113.251 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -62.61 -20.46 64.78 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.404 -0.81 . . . . 0.0 112.642 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -71.54 -42.91 67.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.113 0.965 . . . . 0.0 112.234 170.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -170.82 126.49 0.72 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 128.083 2.553 . . . . 0.0 110.703 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.84 -34.17 62.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -69.77 -51.0 37.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.108 0.963 . . . . 0.0 111.021 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -160.75 134.67 6.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.304 1.442 . . . . 0.0 110.91 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.4 t -90.46 124.2 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.803 1.641 . . . . 0.0 108.684 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.465 HD21 ' CD2' ' A' ' 27' ' ' HIS . 26.0 t-20 -79.03 151.18 31.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.22 0.608 . . . . 0.0 112.469 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -47.02 -43.46 19.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.894 1.678 . . . . 0.0 115.059 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -66.61 -40.36 88.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.912 0.778 . . . . 0.0 111.271 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -73.12 -32.33 64.86 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.295 1.038 . . . . 0.0 111.882 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.97 -39.1 88.3 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.27 -0.894 . . . . 0.0 110.661 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.71 -38.95 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.169 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -55.2 -40.01 70.28 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.371 1.441 . . . . 0.0 111.605 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -69.35 -42.04 75.81 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.356 0.663 . . . . 0.0 112.512 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.91 -28.15 69.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.05 0.841 . . . . 0.0 112.177 171.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.3 -41.33 96.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.104 0.859 . . . . 0.0 112.483 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.94 88.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.632 1.216 . . . . 0.0 111.615 170.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.56 -41.26 80.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.602 1.161 . . . . 0.0 112.127 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.76 -32.34 69.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.848 1.259 . . . . 0.0 112.678 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 ttt -74.31 -38.88 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.027 0.931 . . . . 0.0 112.269 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 52.5 mt -75.6 -12.86 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.296 1.839 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.56 -16.66 10.71 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.5 1.52 . . . . 0.0 114.3 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 72.03 -60.01 0.54 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 128.392 2.677 . . . . 0.0 114.088 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.32 -29.91 57.49 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.104 1.362 . . . . 0.0 112.189 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.22 90.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.043 0.937 . . . . 0.0 112.583 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.98 15.53 4.91 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.4 1.48 . . . . 0.0 113.157 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -121.41 -36.58 3.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.425 1.49 . . . . 0.0 113.13 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 C-N-CA 126.003 1.763 . . . . 0.0 113.938 173.793 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.35 -62.41 1.44 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.876 1.67 . . . . 0.0 114.552 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -43.12 90.98 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.85 -39.74 89.33 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.409 2.739 . . . . 0.0 114.387 169.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -74.32 -43.85 55.01 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.695 1.134 . . . . 0.0 111.651 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.53 -36.34 78.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.847 1.659 . . . . 0.0 112.311 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -74.65 -32.34 62.23 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 171.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -42.9 71.17 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.492 1.042 . . . . 0.0 112.063 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -66.03 -25.75 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 118.963 0.801 . . . . 0.0 111.371 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.91 -25.54 74.6 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.312 1.434 . . . . 0.0 113.888 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -47.52 73.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.256 1.528 . . . . 0.0 110.273 172.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.51 0.724 . . . . 0.0 111.569 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -74.18 -36.04 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.098 0.863 . . . . 0.0 112.07 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.08 -28.51 72.95 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.543 1.068 . . . . 0.0 112.715 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 mt -80.21 -56.58 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 110.638 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -62.72 -50.27 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -70.25 -19.99 63.1 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -168.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -63.67 -35.09 79.41 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.134 -0.978 . . . . 0.0 112.314 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -84.45 -47.02 11.07 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.729 1.212 . . . . 0.0 113.096 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -63.47 -41.56 98.59 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.392 0.996 . . . . 0.0 111.855 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.34 15.03 52.48 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.63 1.586 . . . . 0.0 114.832 178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.15 -28.07 66.98 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.385 1.592 . . . . 0.0 113.593 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -132.07 21.93 4.5 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.734 1.213 . . . . 0.0 113.495 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.17 -163.08 34.57 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.743 1.163 . . . . 0.0 113.872 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.59 3.46 44.29 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.658 1.583 . . . . 0.0 113.227 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -58.46 147.3 32.17 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.919 2.488 . . . . 0.0 114.818 -169.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -118.17 19.45 13.53 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.61 1.964 . . . . 0.0 114.12 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -124.3 156.35 37.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.378 2.271 . . . . 0.0 110.418 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.52 120.81 43.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.958 1.303 . . . . 0.0 110.752 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.8 t -78.62 173.17 12.7 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.148 0.975 . . . . 0.0 109.994 168.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.13 -38.66 71.11 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.687 -1.258 . . . . 0.0 113.453 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -70.67 -39.52 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -51.38 70.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.619 0.768 . . . . 0.0 110.807 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.14 -41.65 90.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 117.988 0.358 . . . . 0.0 110.557 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.36 -43.55 97.34 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.356 -0.84 . . . . 0.0 112.451 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -65.14 -38.22 89.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.431 0.692 . . . . 0.0 111.582 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.12 -52.68 64.54 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.598 1.159 . . . . 0.0 110.461 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.31 -52.36 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.697 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -64.26 -27.32 68.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.989 0.813 . . . . 0.0 113.129 -176.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -86.85 -50.4 6.74 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.915 1.234 . . . . 0.0 113.836 174.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -85.56 -35.52 21.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -169.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mp -108.21 -17.61 13.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.757 1.223 . . . . 0.0 113.104 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.312 26.4 p 54.43 -121.32 1.79 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.386 2.274 . . . . 0.0 109.115 -169.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.7 tt -165.66 170.17 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.337 1.455 . . . . 0.0 111.457 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.03 -47.69 6.94 Favored Glycine 0 N--CA 1.472 1.087 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 41.4 t -147.78 139.28 23.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.394 1.478 . . . . 0.0 110.266 169.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -60.22 -18.32 47.68 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.018 -1.051 . . . . 0.0 113.438 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.12 -23.43 67.43 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.99 1.316 . . . . 0.0 113.086 170.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -80.06 -4.8 54.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.524 1.13 . . . . 0.0 113.064 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.15 -28.39 67.87 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.262 -1.524 . . . . 0.0 113.63 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.68 73.0 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.454 1.102 . . . . 0.0 112.787 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -80.69 -28.59 36.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.976 0.91 . . . . 0.0 111.232 170.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -64.28 -43.11 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 120.023 1.283 . . . . 0.0 111.56 171.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.81 -24.05 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.883 1.219 . . . . 0.0 113.259 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.43 -38.7 59.62 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.996 -1.065 . . . . 0.0 111.849 169.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -39.27 88.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.392 1.077 . . . . 0.0 111.36 169.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -62.54 -43.19 99.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.941 1.296 . . . . 0.0 111.864 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.33 -35.4 80.28 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.101 1.361 . . . . 0.0 112.309 174.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -72.91 -24.9 60.89 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.828 1.251 . . . . 0.0 113.394 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.35 -48.15 36.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.036 1.334 . . . . 0.0 110.651 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.35 -13.85 62.39 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -49.93 -28.92 7.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 113.057 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -67.87 -29.46 68.59 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -140.2 -19.02 0.89 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -169.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.26 35.26 6.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.825 2.05 . . . . 0.0 113.654 170.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -166.02 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.576 1.55 . . . . 0.0 110.131 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -156.99 142.9 17.81 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.83 1.652 . . . . 0.0 110.531 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 p -92.69 135.0 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.549 1.14 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -91.33 160.86 15.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.28 1.032 . . . . 0.0 112.635 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.84 -48.57 69.83 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -169.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -67.28 -35.8 80.24 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.225 0.92 . . . . 0.0 111.537 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -70.14 -38.25 75.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.251 1.42 . . . . 0.0 111.04 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.62 -43.65 93.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.003 0.921 . . . . 0.0 111.467 169.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.9 mt -69.64 -37.56 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.387 -0.82 . . . . 0.0 112.061 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -59.89 -42.13 93.1 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.18 0.992 . . . . 0.0 111.177 173.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.45 -38.53 87.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.543 0.737 . . . . 0.0 112.301 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.02 -26.31 68.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.527 1.058 . . . . 0.0 111.943 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -36.82 87.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.336 0.97 . . . . 0.0 112.973 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.26 73.59 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.341 1.071 . . . . 0.0 112.155 170.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.11 -41.43 99.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.896 0.878 . . . . 0.0 111.398 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.808 1.243 . . . . 0.0 112.571 171.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.46 -28.49 68.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.18 0.992 . . . . 0.0 113.195 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.0 -31.89 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.894 -1.129 . . . . 0.0 112.233 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -78.23 50.22 0.89 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.49 1.116 . . . . 0.0 111.271 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.58 -28.67 56.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.158 1.783 . . . . 0.0 115.805 -169.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.99 -40.16 92.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.2 0.909 . . . . 0.0 112.219 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.66 65.78 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.15 0.98 . . . . 0.0 113.15 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.1 mt -103.29 18.12 22.5 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.233 2.213 . . . . 0.0 112.326 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -127.13 -36.4 2.16 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.573 1.549 . . . . 0.0 111.952 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.295 0 C-N-CA 125.591 1.567 . . . . 0.0 113.754 172.083 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.392 0.139 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -66.44 -23.71 66.33 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.477 1.511 . . . . 0.0 113.229 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 79.16 -48.64 3.39 Favored Glycine 0 N--CA 1.475 1.24 0 C-N-CA 125.599 1.571 . . . . 0.0 113.906 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.95 -65.39 0.57 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.535 1.934 . . . . 0.0 111.092 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -56.13 -29.41 60.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.118 0.967 . . . . 0.0 112.873 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.72 -16.15 63.28 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.77 -40.95 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 120.048 1.295 . . . . 0.0 108.78 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.6 -35.44 80.99 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.242 1.817 . . . . 0.0 111.69 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.66 -22.95 58.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.625 1.17 . . . . 0.0 113.31 174.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -69.83 -24.09 63.4 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.577 -1.327 . . . . 0.0 113.066 174.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.3 mp -80.08 -27.56 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.988 1.315 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -54.12 -37.82 64.75 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.906 -1.121 . . . . 0.0 112.562 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.49 0.56 10.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.58 1.952 . . . . 0.0 114.312 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.86 -30.55 67.81 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.092 1.357 . . . . 0.0 113.253 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 89.28 26.5 25.61 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 115.789 1.075 . . . . 0.0 115.789 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -62.91 154.86 28.91 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 118.819 1.309 . . . . 0.0 113.989 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.88 -16.54 7.58 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 128.056 2.543 . . . . 0.0 113.426 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -87.99 -32.98 18.56 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.158 1.345 . . . . 0.0 114.586 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -59.24 -46.76 87.63 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.198 0.999 . . . . 0.0 111.682 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -18.58 65.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 174.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -82.59 -39.15 22.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.566 1.076 . . . . 0.0 111.525 169.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 67.9 m -72.84 -36.56 67.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.847 1.259 . . . . 0.0 111.969 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.2 -47.4 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 118.378 0.535 . . . . 0.0 110.169 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -59.36 -45.72 90.62 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.848 0.459 . . . . 0.0 111.53 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.68 -46.94 80.86 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.046 -1.034 . . . . 0.0 112.23 173.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.79 66.4 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -82.05 -44.52 16.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.479 0.711 . . . . 0.0 111.338 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 14.9 t -67.69 -26.35 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 125.682 1.593 . . . . 0.0 113.523 -170.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.96 -21.41 58.44 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 171.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.5 m -111.49 17.05 20.43 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.953 1.301 . . . . 0.0 113.245 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.093 1.357 . . . . 0.0 114.449 178.807 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.48 151.22 46.31 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.638 0.775 . . . . 0.0 111.512 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.23 47.98 3.28 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 125.106 1.336 . . . . 0.0 113.672 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 27.1 tp -48.82 -67.48 0.26 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -26.31 32.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.686 1.194 . . . . 0.0 114.193 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -76.3 -19.02 58.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.156 0.889 . . . . 0.0 113.166 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.96 -36.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.666 1.187 . . . . 0.0 109.026 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.77 -30.06 68.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.229 1.412 . . . . 0.0 111.937 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.71 -35.63 66.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.38 1.072 . . . . 0.0 112.049 169.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -65.26 -17.19 64.3 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.711 -1.243 . . . . 0.0 112.821 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.17 -39.76 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.36 1.464 . . . . 0.0 111.796 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -51.63 -47.54 63.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 0.0 110.83 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.69 -0.13 32.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -107.52 -22.9 12.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.36 1.464 . . . . 0.0 113.552 171.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -61.9 153.4 41.49 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.846 1.212 . . . . 0.0 113.582 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -80.89 0.08 36.81 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 78.41 7.5 2.36 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.683 2.793 . . . . 0.0 114.071 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.03 -22.28 66.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.732 -1.23 . . . . 0.0 113.026 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 9.4 tpp -44.91 -64.96 0.59 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.176 1.79 . . . . 0.0 109.512 169.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -66.48 -27.25 67.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -68.59 -48.27 64.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.068 0.849 . . . . 0.0 110.574 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.8 m -66.28 -39.23 89.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.283 1.433 . . . . 0.0 111.514 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.03 -53.13 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.395 0.678 . . . . 0.0 110.612 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -64.56 -33.79 76.73 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.97 -55.49 32.31 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.766 1.166 . . . . 0.0 111.357 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.5 -29.32 64.21 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.842 1.257 . . . . 0.0 113.632 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -76.33 -17.88 59.2 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.724 1.61 . . . . 0.0 113.56 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 55.8 t -105.91 -37.92 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.803 1.241 . . . . 0.0 113.143 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.87 -14.54 60.27 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 -169.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 24.6 p -80.43 0.58 32.79 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 76.3 mtm-85 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.041 1.737 . . . . 0.0 111.96 177.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.08 14.73 3.05 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.499 1.92 . . . . 0.0 112.073 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -39.45 -48.38 4.8 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.96 -33.74 25.28 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.822 1.682 . . . . 0.0 112.838 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.8 tp -80.63 -39.85 26.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.236 0.926 . . . . 0.0 111.742 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.51 -35.97 79.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.387 1.475 . . . . 0.0 112.475 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -73.02 -25.43 60.96 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 171.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.17 -45.47 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.944 1.247 . . . . 0.0 112.388 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.1 pt -64.64 -32.9 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.396 0.998 . . . . 0.0 111.204 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.4 71.53 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.476 1.036 . . . . 0.0 113.91 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -50.89 44.85 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.907 1.353 . . . . 0.0 110.203 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.13 -40.17 88.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.117 0.967 . . . . 0.0 111.731 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -69.13 -42.65 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.84 0.745 . . . . 0.0 110.7 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.64 89.92 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.294 0.949 . . . . 0.0 112.425 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mt -67.82 -54.02 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.286 1.035 . . . . 0.0 110.736 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.86 -50.68 61.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.607 1.094 . . . . 0.0 113.268 -173.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -70.47 -21.17 62.81 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.18 -42.8 91.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.943 -1.098 . . . . 0.0 112.369 169.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.51 -30.43 29.83 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.1 p -75.5 -42.76 52.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.956 1.253 . . . . 0.0 112.015 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.43 58.02 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.518 1.532 . . . . 0.0 113.993 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -62.32 -33.22 74.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.123 1.369 . . . . 0.0 112.124 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -106.19 -34.65 7.44 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.593 1.557 . . . . 0.0 113.082 -173.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.03 179.39 48.7 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-N 118.951 0.796 . . . . 0.0 114.631 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -76.36 -16.38 59.75 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.62 138.63 57.59 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.918 1.287 . . . . 0.0 112.286 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -80.25 48.51 1.02 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.558 1.543 . . . . 0.0 112.757 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 p -139.19 150.34 45.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.083 2.153 . . . . 0.0 109.665 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.22 143.71 42.84 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.943 1.297 . . . . 0.0 110.152 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -80.41 146.68 31.34 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 167.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -62.19 -22.86 66.25 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -75.54 -29.41 59.41 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -78.39 -30.51 47.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.582 1.153 . . . . 0.0 111.204 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.5 tm? -58.97 -47.22 85.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.807 0.843 . . . . 0.0 110.258 169.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 35' ' ' LYS . 47.2 mtpt -57.34 -39.15 75.33 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.435 -0.791 . . . . 0.0 111.746 173.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.65 -46.94 88.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.566 0.746 . . . . 0.0 111.287 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -54.84 -52.31 63.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.326 1.051 . . . . 0.0 111.083 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.78 -40.03 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.951 -0.468 . . . . 0.0 112.21 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -74.7 -27.57 60.45 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.264 -0.897 . . . . 0.0 112.352 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -85.52 -44.69 12.47 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.02 -53.82 4.85 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.095 0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.4 52.44 1.02 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.004 1.322 . . . . 0.0 111.763 -169.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -57.57 127.15 30.57 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.749 1.22 . . . . 0.0 110.89 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.61 125.66 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.013 1.725 . . . . 0.0 108.874 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.46 -26.89 16.53 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.359 0.98 . . . . 0.0 114.547 -173.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 p -75.11 -26.67 59.41 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -165.65 179.45 6.02 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -171.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.7 122.14 10.72 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.303 1.441 . . . . 0.0 109.484 169.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -88.43 -49.61 6.82 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -169.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.75 -38.79 61.48 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -168.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.4 68.27 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.48 -39.92 27.12 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.367 0.531 . . . . 0.0 110.791 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.21 -31.97 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.062 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.38 -36.25 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.248 1.385 . . . . 0.0 111.931 173.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -75.26 -39.24 60.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.568 0.622 . . . . 0.0 112.619 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.12 -36.35 82.91 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.152 0.887 . . . . 0.0 111.812 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -58.98 -39.58 82.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.66 1.184 . . . . 0.0 111.184 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.46 -36.75 85.18 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.252 0.933 . . . . 0.0 113.409 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -70.02 -24.58 63.31 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.318 1.417 . . . . 0.0 113.767 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.95 -44.84 17.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.634 1.574 . . . . 0.0 112.26 170.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -73.15 -25.38 60.79 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.142 1.777 . . . . 0.0 113.769 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -11.09 16.89 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -78.73 -19.49 52.24 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 119.901 1.228 . . . . 0.0 113.942 170.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -136.33 -129.41 0.14 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.578 1.951 . . . . 0.0 111.431 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -141.22 -42.84 0.38 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -138.76 -8.47 1.41 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.512 1.525 . . . . 0.0 113.213 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.56 157.76 45.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.247 1.819 . . . . 0.0 112.645 -169.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.07 111.53 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.053 1.741 . . . . 0.0 108.628 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -80.61 149.18 29.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.234 1.414 . . . . 0.0 112.031 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.7 -48.0 72.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.35 -38.72 90.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.26 0.936 . . . . 0.0 111.035 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.85 -34.78 74.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.832 1.253 . . . . 0.0 111.928 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -61.01 -39.78 91.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.99 0.916 . . . . 0.0 110.433 169.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.9 mt -71.65 -39.29 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.601 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -56.96 -42.27 79.82 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 120.271 1.396 . . . . 0.0 110.86 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -66.57 -38.36 86.9 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt -63.43 -17.1 62.33 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.485 1.039 . . . . 0.0 112.167 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.44 -37.29 69.54 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 119.627 1.103 . . . . 0.0 111.639 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.57 69.99 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 117.938 0.869 . . . . 0.0 111.572 169.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.75 -16.64 63.35 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.105 0.962 . . . . 0.0 112.974 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -82.72 -44.53 15.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.128 1.371 . . . . 0.0 110.38 168.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 60.6 ttp -66.14 -33.4 75.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.748 1.219 . . . . 0.0 113.437 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 tp -52.73 -31.6 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.76 -23.73 66.36 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 65.86 -60.9 0.28 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.998 2.919 . . . . 0.0 114.665 169.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -60.66 -35.3 75.89 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.316 1.846 . . . . 0.0 111.803 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -17.96 63.81 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -108.13 17.29 22.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.848 1.659 . . . . 0.0 113.043 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.2 -29.95 13.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.979 -1.076 . . . . 0.0 113.186 170.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.386 0 C-N-CA 125.712 1.625 . . . . 0.0 113.388 -178.526 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.42 50.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.6 p -52.43 -39.92 70.6 Favored Pre-proline 0 CA--C 1.548 0.895 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.05 -34.8 27.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.578 2.185 . . . . 0.0 113.523 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.37 -41.68 55.84 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.122 1.328 . . . . 0.0 111.001 174.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.25 -44.0 79.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.375 1.47 . . . . 0.0 112.258 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.16 -19.85 61.03 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.76 -48.99 12.7 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.46 1.027 . . . . 0.0 112.381 172.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -61.69 -37.18 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.553 1.07 . . . . 0.0 110.88 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.66 70.67 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.739 1.161 . . . . 0.0 113.757 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -53.34 44.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.76 1.28 . . . . 0.0 110.249 173.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.0 -40.62 85.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.347 1.059 . . . . 0.0 111.61 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.459 HD11 ' HB1' ' A' ' 81' ' ' ALA . 47.5 mt -66.21 -46.08 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.959 0.8 . . . . 0.0 111.032 176.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.05 -32.59 69.45 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.803 1.192 . . . . 0.0 113.214 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.57 -42.85 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.073 0.949 . . . . 0.0 110.715 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -72.15 -59.57 2.67 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -66.68 -26.1 66.87 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -54.1 -38.01 64.91 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.66 1.184 . . . . 0.0 113.704 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -80.5 -24.01 39.7 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -58.86 -20.97 55.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.708 1.203 . . . . 0.0 114.191 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.41 83.1 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.193 0.902 . . . . 0.0 114.594 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -68.12 -52.18 37.84 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.289 1.544 . . . . 0.0 110.904 170.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -88.37 -21.34 24.38 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.253 0.621 . . . . 0.0 112.615 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.96 27.58 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.182 1.372 . . . . 0.0 114.078 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -96.35 169.61 9.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.255 1.822 . . . . 0.0 113.235 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -94.31 -120.76 0.1 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.176 1.391 . . . . 0.0 110.592 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -81.94 46.31 0.99 Allowed 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.672 -1.892 . . . . 0.0 113.983 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t -154.71 144.44 21.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.997 1.719 . . . . 0.0 110.296 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -117.81 142.86 46.82 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.77 1.228 . . . . 0.0 111.83 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -78.13 171.11 15.53 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.288 -0.882 . . . . 0.0 112.702 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -63.56 -46.04 87.72 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.724 -1.235 . . . . 0.0 112.574 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -73.1 -30.76 63.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.761 0.824 . . . . 0.0 112.964 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.9 -34.88 71.99 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.733 1.213 . . . . 0.0 111.688 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.89 -44.78 79.96 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.635 1.174 . . . . 0.0 109.816 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.68 -37.59 82.11 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.867 -1.146 . . . . 0.0 112.194 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.27 -48.86 80.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.703 1.201 . . . . 0.0 111.758 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.62 -54.94 26.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.603 0.761 . . . . 0.0 110.944 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -60.75 -47.72 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.304 0.502 . . . . 0.0 111.732 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -70.3 -23.06 62.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.89 -47.72 8.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.348 1.431 . . . . 0.0 113.861 169.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -85.58 -27.96 25.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.059 0.845 . . . . 0.0 113.224 -170.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.57 46.17 1.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.239 1.816 . . . . 0.0 109.237 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.2 t -54.03 141.15 29.24 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.63 1.972 . . . . 0.0 113.819 -171.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 pt -151.24 160.8 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 128.713 2.805 . . . . 0.0 109.677 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.9 -171.79 42.97 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 124.369 0.985 . . . . 0.0 114.646 -171.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.6 p -71.77 -0.76 11.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.732 1.613 . . . . 0.0 114.312 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -50.26 145.1 6.45 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.308 1.843 . . . . 0.0 112.675 170.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 tp -79.61 79.42 6.1 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.554 1.142 . . . . 0.0 111.73 -174.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.73 7.15 2.29 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.842 1.257 . . . . 0.0 113.374 169.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.23 -23.33 67.38 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.215 -1.553 . . . . 0.0 111.699 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -30.66 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.536 1.534 . . . . 0.0 112.685 169.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.64 -38.89 38.51 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.714 0.806 . . . . 0.0 110.731 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.16 -42.62 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.121 0.569 . . . . 0.0 111.472 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.43 -29.86 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.165 0.893 . . . . 0.0 112.34 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -75.13 -35.39 61.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.118 0.872 . . . . 0.0 112.258 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.78 -37.18 84.08 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.583 -0.698 . . . . 0.0 111.504 171.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -61.49 -40.67 95.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.852 0.861 . . . . 0.0 111.403 170.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.76 -36.94 84.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.1 0.96 . . . . 0.0 113.083 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.05 -18.31 60.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.938 1.245 . . . . 0.0 113.436 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -81.08 -45.41 16.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.529 1.132 . . . . 0.0 110.3 169.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.13 -17.35 64.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.987 1.715 . . . . 0.0 113.409 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.19 -24.47 64.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.187 1.795 . . . . 0.0 112.571 172.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -81.66 -43.95 17.84 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.812 . . . . 0.0 112.421 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -143.11 119.1 10.65 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.783 2.033 . . . . 0.0 109.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -79.69 7.93 7.55 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.97 -71.63 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.263 1.025 . . . . 0.0 110.303 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -124.17 141.05 52.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 108.549 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -88.09 115.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.209 1.003 . . . . 0.0 110.636 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.69 153.29 31.05 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.927 0.891 . . . . 0.0 111.709 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -48.9 -43.27 39.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.013 1.325 . . . . 0.0 114.368 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -60.05 -42.37 94.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.812 0.733 . . . . 0.0 111.796 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -75.27 -33.6 61.28 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.063 0.945 . . . . 0.0 111.378 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.91 -44.58 89.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.512 1.125 . . . . 0.0 111.776 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.99 -45.22 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.926 0.784 . . . . 0.0 110.668 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.7 m -59.95 -41.17 91.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.421 1.088 . . . . 0.0 111.706 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -68.47 -40.47 80.98 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.216 1.006 . . . . 0.0 112.144 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.22 -23.06 66.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.33 0.968 . . . . 0.0 112.327 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.12 84.07 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-N 119.148 0.886 . . . . 0.0 112.21 169.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.5 69.46 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.158 0.979 . . . . 0.0 112.943 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -64.64 -46.42 82.6 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.424 0.689 . . . . 0.0 110.835 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.93 -31.3 69.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.129 0.971 . . . . 0.0 113.359 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.2 ptm -80.88 -11.47 59.58 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.8 tp -67.53 -31.17 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 120.859 1.663 . . . . 0.0 111.438 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' TYR . . . . . 0.4 ' HA ' ' CE1' ' C' ' 200' ' ' TYR . 97.1 m-85 -69.61 50.15 0.1 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.835 2.054 . . . . 0.0 113.598 175.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -56.32 -19.86 16.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.895 1.678 . . . . 0.0 115.125 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -55.04 -33.87 63.05 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.727 1.148 . . . . 0.0 112.185 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.38 -21.25 64.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.584 1.153 . . . . 0.0 113.834 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -98.87 -3.31 35.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.363 1.465 . . . . 0.0 112.929 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -82.86 -16.21 48.53 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.764 1.226 . . . . 0.0 113.688 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.385 0 C-N-CA 125.807 1.67 . . . . 0.0 113.105 -178.445 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -123.25 160.71 26.04 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.81 1.244 . . . . 0.0 111.772 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 87.67 166.44 42.45 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.824 1.202 . . . . 0.0 113.757 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.6 pp -59.58 -27.7 66.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 113.498 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.65 -30.86 23.22 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.018 1.327 . . . . 0.0 113.079 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -71.05 -10.82 60.41 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.36 -41.46 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.574 1.55 . . . . 0.0 108.544 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.3 -42.65 99.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.156 1.782 . . . . 0.0 111.097 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 66.9 tttm -54.7 -37.22 65.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.65 1.18 . . . . 0.0 112.698 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -64.65 -25.18 67.84 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.085 -1.009 . . . . 0.0 112.523 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 59.1 mt -93.87 -42.3 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.467 1.507 . . . . 0.0 110.739 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 200' ' ' TYR . . . . . 0.4 ' CE1' ' HA ' ' B' ' 84' ' ' TYR . 18.8 t80 -52.93 -44.08 66.77 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.341 1.456 . . . . 0.0 112.562 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -82.48 -0.96 48.82 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.634 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -109.62 -30.23 8.0 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.998 1.719 . . . . 0.0 112.94 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -91.22 -157.97 34.22 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 125.713 1.625 . . . . 0.0 116.1 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.77 155.7 25.93 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.991 2.516 . . . . 0.0 115.659 -169.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.43 3.96 3.11 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.478 1.911 . . . . 0.0 112.851 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -65.49 -19.1 65.79 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.773 -1.205 . . . . 0.0 113.303 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 35.8 tpp -35.78 -56.93 0.68 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 128.171 2.588 . . . . 0.0 111.932 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.14 -25.03 67.58 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 33.8 mtm105 -72.54 -34.41 67.52 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.941 0.896 . . . . 0.0 111.544 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 43.4 m -66.44 -44.05 83.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.148 0.979 . . . . 0.0 110.819 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.34 -50.12 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.289 0.636 . . . . 0.0 110.829 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -54.95 -51.29 66.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.87 0.468 . . . . 0.0 111.592 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -57.57 -49.05 77.67 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.233 -0.917 . . . . 0.0 112.383 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.78 68.64 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -84.56 -40.48 17.51 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.408 1.083 . . . . 0.0 111.815 174.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.4 -25.09 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.158 0.983 . . . . 0.0 112.977 -171.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.11 -17.33 64.38 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.7 m -90.76 2.99 55.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.179 1.392 . . . . 0.0 114.337 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.213 0 C-N-CA 124.783 1.233 . . . . 0.0 113.664 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -73.62 145.58 45.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.005 0.922 . . . . 0.0 111.142 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -76.54 33.42 1.38 Allowed Glycine 0 N--CA 1.476 1.351 0 C-N-CA 125.848 1.69 . . . . 0.0 115.648 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 43.2 tp -55.85 -67.59 0.28 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.556 1.943 . . . . 0.0 111.72 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.23 -25.98 64.49 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -63.09 -20.9 65.79 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.926 -1.109 . . . . 0.0 113.886 172.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.64 -33.65 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.842 1.257 . . . . 0.0 109.591 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.89 -30.18 66.47 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.495 1.518 . . . . 0.0 111.486 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -55.22 -34.14 63.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.267 1.027 . . . . 0.0 112.0 171.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.91 -24.94 66.39 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.003 . . . . 0.0 113.276 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 28.1 mm -91.08 -47.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.45 1.5 . . . . 0.0 110.661 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -50.36 -45.75 55.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.915 1.286 . . . . 0.0 113.108 173.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.24 -1.88 28.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -85.23 -16.3 40.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.615 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 167.63 117.81 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.215 0.912 . . . . 0.0 114.795 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.84 -7.43 20.51 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.435 1.894 . . . . 0.0 113.42 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 205' ' ' ASP . . . . . 0.463 ' HA ' ' HE2' ' D' ' 208' ' ' LYS . 27.7 t70 -64.17 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 117.422 2.378 . . . . 0.0 117.422 -168.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -92.71 -25.94 18.0 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 40.3 tpp -57.92 -52.19 66.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.996 0.918 . . . . 0.0 110.357 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 208' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' D' ' 205' ' ' ASP . 29.8 pttt -60.32 -24.33 64.92 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 176.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -76.87 -40.79 46.34 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.39 0.996 . . . . 0.0 110.959 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.4 m -64.11 -46.08 85.77 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.114 1.366 . . . . 0.0 111.148 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.05 -49.38 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 122.839 0.456 . . . . 0.0 111.007 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -55.3 -48.87 73.47 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.61 0.641 . . . . 0.0 112.058 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.22 -52.43 64.47 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.078 -1.014 . . . . 0.0 112.1 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.54 68.83 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -85.95 -31.51 22.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.413 1.085 . . . . 0.0 113.441 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 78.3 t -91.28 -24.93 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 124.474 1.11 . . . . 0.0 113.415 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.45 -18.63 65.47 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 19.6 m -88.58 -0.68 57.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.934 1.294 . . . . 0.0 114.266 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.295 0 C-N-CA 124.968 1.307 . . . . 0.0 113.143 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 119.278 -0.391 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.68 -8.6 55.92 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -174.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -71.19 -31.77 2.08 Favored Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 118.83 2.9 . . . . 0.0 118.83 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -71.18 -41.55 2.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 123.153 2.162 . . . . 0.0 114.157 -169.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.07 -36.96 40.02 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.563 1.074 . . . . 0.0 111.301 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.46 -40.17 81.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.806 1.242 . . . . 0.0 112.493 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.61 -33.51 72.78 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.448 0.567 . . . . 0.0 112.287 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.46 66.7 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.383 0.992 . . . . 0.0 112.751 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.2 pt -67.28 -29.78 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.377 -0.827 . . . . 0.0 111.333 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.97 88.66 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.465 1.031 . . . . 0.0 113.017 170.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -54.01 43.16 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.012 1.325 . . . . 0.0 110.916 175.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.61 -42.58 67.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.883 1.673 . . . . 0.0 112.452 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.8 mt -65.24 -48.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.504 0.593 . . . . 0.0 111.195 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.74 -28.71 71.76 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.092 0.853 . . . . 0.0 113.405 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 mt -72.07 -47.21 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.398 1.099 . . . . 0.0 111.374 170.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -63.21 -47.44 82.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.37 -22.56 61.12 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -169.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.26 -44.19 71.62 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.186 0.903 . . . . 0.0 112.048 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.61 -36.85 23.58 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.903 1.281 . . . . 0.0 113.378 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 t -64.75 -44.13 91.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.14 4.85 85.4 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.49 1.043 . . . . 0.0 114.704 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -61.17 -36.69 80.51 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.039 1.419 . . . . 0.0 114.184 -169.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -101.33 12.63 37.09 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.588 1.555 . . . . 0.0 113.32 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.28 164.52 13.06 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.868 1.699 . . . . 0.0 111.469 -170.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.26 125.41 24.96 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -170.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -171.81 166.99 6.44 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 128.375 2.67 . . . . 0.0 110.102 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -119.1 31.19 6.75 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.96 1.304 . . . . 0.0 112.891 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.0 p -135.87 147.68 48.31 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.306 1.842 . . . . 0.0 111.416 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -111.92 123.1 49.52 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.905 1.282 . . . . 0.0 110.309 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.2 m -77.89 168.06 20.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.018 0.527 . . . . 0.0 111.087 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -56.58 -47.55 79.31 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.7 -1.875 . . . . 0.0 114.613 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -70.84 -40.37 72.42 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.191 -0.943 . . . . 0.0 111.885 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.36 -33.66 75.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.629 1.571 . . . . 0.0 112.041 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.77 -50.59 49.15 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.961 1.704 . . . . 0.0 110.295 169.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -54.26 -38.22 65.57 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.76 1.164 . . . . 0.0 112.852 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -56.01 -52.71 63.24 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.097 0.862 . . . . 0.0 110.648 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -55.59 -55.85 27.25 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.665 0.786 . . . . 0.0 111.084 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -70.61 -17.71 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.003 1.274 . . . . 0.0 114.378 -174.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -82.16 -43.38 17.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.047 1.294 . . . . 0.0 111.846 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -85.2 -36.63 20.88 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.67 -54.96 4.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 109.67 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.7 51.85 2.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.044 0.937 . . . . 0.0 110.139 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.0 m -49.25 116.36 1.68 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.857 2.463 . . . . 0.0 112.755 -169.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.1 pt -86.42 -14.05 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.03 1.332 . . . . 0.0 113.475 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.01 -152.9 33.54 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.378 1.466 . . . . 0.0 113.2 176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.1 m -69.39 -16.54 63.53 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.308 1.043 . . . . 0.0 113.526 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -70.18 126.16 28.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.663 1.585 . . . . 0.0 110.904 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.93 126.02 31.44 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.665 0.786 . . . . 0.0 110.891 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -138.9 20.0 2.65 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.897 1.679 . . . . 0.0 110.704 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.33 -25.39 68.28 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.271 -1.518 . . . . 0.0 113.144 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.61 71.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.44 1.096 . . . . 0.0 112.804 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -81.09 -34.22 32.81 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.641 0.776 . . . . 0.0 111.345 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -62.14 -43.9 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.638 0.775 . . . . 0.0 111.488 175.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.3 -30.67 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 CA-C-N 119.262 0.937 . . . . 0.0 112.286 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -79.24 -31.38 43.55 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.008 0.822 . . . . 0.0 112.356 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.95 -43.89 81.99 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 169.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -58.62 -41.83 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.838 0.855 . . . . 0.0 112.058 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.39 -35.39 80.8 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.068 0.947 . . . . 0.0 112.937 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.07 -33.63 70.42 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.224 -0.922 . . . . 0.0 112.965 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.21 -44.02 76.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.299 1.439 . . . . 0.0 111.307 169.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.75 -32.82 74.58 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.262 1.425 . . . . 0.0 113.242 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -5.94 43.68 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.438 1.017 . . . . 0.0 113.702 172.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.94 -34.73 44.18 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.18 0.9 . . . . 0.0 110.85 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -159.6 120.16 3.1 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.069 1.748 . . . . 0.0 111.069 169.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.78 131.94 50.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.504 1.922 . . . . 0.0 114.404 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 77.19 -36.2 0.24 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 130.025 3.33 . . . . 0.0 113.532 170.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 131.81 18.14 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.717 0.807 . . . . 0.0 111.056 169.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -94.45 123.16 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.384 1.474 . . . . 0.0 108.392 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -78.74 162.23 26.3 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 111.087 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.95 -41.76 64.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.92 -48.58 81.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.005 0.522 . . . . 0.0 110.957 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -70.56 -30.34 67.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.303 1.041 . . . . 0.0 112.385 -175.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.69 -41.73 95.73 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.44 0.696 . . . . 0.0 110.797 169.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.38 -35.98 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.418 -0.801 . . . . 0.0 112.429 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.1 m -54.93 -45.03 74.77 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.389 0.995 . . . . 0.0 110.904 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -63.35 -42.74 98.93 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.78 -22.49 65.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.549 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.04 -38.0 94.88 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 119.19 0.905 . . . . 0.0 112.734 169.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.7 -43.77 68.32 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 118.09 0.945 . . . . 0.0 111.509 171.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.94 -45.88 78.67 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.203 0.601 . . . . 0.0 111.431 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.989 1.316 . . . . 0.0 113.501 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.9 tpt -73.65 -37.09 65.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.914 0.779 . . . . 0.0 111.666 170.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -31.56 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.674 0.79 . . . . 0.0 111.448 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -69.4 42.31 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.629 1.572 . . . . 0.0 112.624 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -58.24 -19.44 34.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.751 2.02 . . . . 0.0 115.701 -169.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.67 -26.15 55.69 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.709 1.14 . . . . 0.0 112.928 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.36 -25.29 67.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.85 1.26 . . . . 0.0 113.499 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.05 -29.7 15.67 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.912 1.285 . . . . 0.0 110.953 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -71.41 -40.1 70.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.607 0.763 . . . . 0.0 112.421 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.335 0 C-N-CA 125.794 1.664 . . . . 0.0 114.097 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.7 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -169.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -53.03 -38.64 62.82 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.84 -32.96 77.19 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.878 3.052 . . . . 0.0 113.757 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.28 -43.89 20.53 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.853 0.752 . . . . 0.0 111.119 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -59.28 -39.97 84.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.465 0.706 . . . . 0.0 111.817 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -71.42 -23.85 61.93 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.36 -43.23 19.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.44 1.096 . . . . 0.0 112.778 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 pt -64.9 -32.88 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 120.513 -1.367 . . . . 0.0 110.128 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -19.87 67.56 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.819 1.2 . . . . 0.0 113.369 169.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -51.55 31.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.527 1.663 . . . . 0.0 109.071 170.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -57.69 -41.7 82.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.764 0.826 . . . . 0.0 110.939 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.454 HD12 ' CZ ' ' B' ' 70' ' ' PHE . 5.2 mm -75.75 -37.19 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 118.797 0.726 . . . . 0.0 111.92 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.15 -26.85 73.36 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.199 0.904 . . . . 0.0 112.63 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 38.3 mt -74.74 -56.61 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.499 1.12 . . . . 0.0 110.785 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -63.08 -53.79 48.08 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.538 0.735 . . . . 0.0 112.349 -170.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.97 -25.12 61.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.79 -48.88 79.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.865 0.866 . . . . 0.0 111.076 169.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.21 -27.9 64.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -67.63 -46.5 72.31 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.373 0.988 . . . . 0.0 110.87 169.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.28 -18.44 75.05 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.256 1.408 . . . . 0.0 114.101 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.15 -34.19 77.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.597 1.159 . . . . 0.0 111.71 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -87.24 -33.1 19.41 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.423 1.089 . . . . 0.0 111.708 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 10.21 64.05 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.172 1.368 . . . . 0.0 114.467 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -91.06 -149.11 0.22 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.434 1.494 . . . . 0.0 111.241 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.0 176.22 4.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.987 1.315 . . . . 0.0 112.21 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -72.49 59.91 0.45 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.161 2.184 . . . . 0.0 113.217 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.4 p -133.45 167.15 20.96 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.868 2.067 . . . . 0.0 110.94 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.69 141.34 34.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.475 1.51 . . . . 0.0 111.174 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.2 p -82.82 160.38 22.24 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -59.71 -33.46 71.64 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.406 -1.434 . . . . 0.0 113.297 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -69.34 -34.61 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.13 -39.24 75.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.518 1.053 . . . . 0.0 111.357 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.472 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -60.34 -41.79 94.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.809 1.243 . . . . 0.0 110.87 169.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -61.78 -37.74 85.47 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.238 -1.538 . . . . 0.0 112.37 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.08 -44.46 88.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.23 0.612 . . . . 0.0 111.858 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.29 -49.01 67.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.725 1.21 . . . . 0.0 110.595 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.3 mt -60.72 -47.12 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.088 0.955 . . . . 0.0 111.749 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.92 -20.12 64.22 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.303 1.41 . . . . 0.0 113.197 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -60.32 2.4 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.595 1.158 . . . . 0.0 111.424 169.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -89.82 -17.3 28.4 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -135.7 37.95 2.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.688 2.395 . . . . 0.0 109.626 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 25.6 m -41.7 123.35 2.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.701 2.4 . . . . 0.0 113.005 -170.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.4 tt -135.98 -22.23 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.138 0.975 . . . . 0.0 113.484 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.35 -144.78 38.02 Favored Glycine 0 C--N 1.34 0.78 0 C-N-CA 124.516 1.055 . . . . 0.0 112.292 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -88.53 -92.72 0.11 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.589 1.155 . . . . 0.0 110.826 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 75.8 tttt 58.37 16.49 4.12 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.765 1.626 . . . . 0.0 112.992 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 mp 66.97 7.96 5.75 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.317 2.647 . . . . 0.0 112.807 -170.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -87.76 -16.54 33.9 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.089 1.356 . . . . 0.0 111.753 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -53.15 -37.41 61.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.716 1.606 . . . . 0.0 112.728 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -27.87 69.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.97 1.308 . . . . 0.0 113.666 173.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.35 -37.5 25.57 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.822 0.849 . . . . 0.0 111.082 170.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.1 mm -62.96 -41.52 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.051 0.94 . . . . 0.0 111.728 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.11 -29.77 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.266 0.939 . . . . 0.0 112.303 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -78.16 -32.84 50.4 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.352 1.433 . . . . 0.0 111.519 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -65.38 -28.46 69.29 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.373 0.988 . . . . 0.0 112.513 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -78.14 -31.56 49.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.954 1.301 . . . . 0.0 112.642 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.58 -33.16 72.33 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.96 1.304 . . . . 0.0 111.941 171.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.28 -51.57 65.57 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.88 1.272 . . . . 0.0 109.689 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.69 -22.89 66.07 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 -59.9 -15.06 18.56 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -70.8 -26.75 63.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.194 0.906 . . . . 0.0 113.202 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -132.98 -150.02 0.4 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.706 2.002 . . . . 0.0 111.745 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.21 -28.28 8.71 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -171.43 -27.63 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.602 1.561 . . . . 0.0 112.927 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.01 141.43 52.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.516 1.127 . . . . 0.0 111.311 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.87 135.75 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.227 1.411 . . . . 0.0 108.801 169.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.16 179.48 5.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.93 0.872 . . . . 0.0 110.645 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.454 ' CZ ' HD12 ' B' ' 13' ' ' ILE . 30.0 t80 -56.29 -40.88 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -40.78 79.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.792 0.724 . . . . 0.0 111.26 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.31 -37.32 86.81 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.964 0.905 . . . . 0.0 112.084 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.08 -44.77 94.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.109 0.413 . . . . 0.0 111.665 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 27.0 mm -71.65 -41.01 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.516 -0.74 . . . . 0.0 110.875 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -61.52 -45.21 95.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.022 1.329 . . . . 0.0 111.312 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -68.82 -37.74 79.4 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.211 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.7 -31.01 72.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.97 1.259 . . . . 0.0 111.899 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.94 71.68 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.198 0.904 . . . . 0.0 113.459 170.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.25 -48.59 12.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.299 1.05 . . . . 0.0 111.344 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 23.7 tp -52.63 -46.29 67.01 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.709 1.204 . . . . 0.0 111.379 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.73 66.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.718 1.207 . . . . 0.0 113.708 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.2 tpt -78.64 -35.82 44.87 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.366 1.066 . . . . 0.0 112.166 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.54 -34.59 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.679 0.672 . . . . 0.0 109.852 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' TYR . . . . . 0.423 ' HA ' ' CZ ' ' C' ' 200' ' ' TYR . 3.6 m-30 -70.7 40.99 0.06 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 126.654 1.981 . . . . 0.0 113.45 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.55 -25.62 27.1 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 128.089 2.555 . . . . 0.0 116.596 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -66.02 -24.76 66.82 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.674 1.124 . . . . 0.0 112.455 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.08 79.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.912 -1.118 . . . . 0.0 111.637 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.09 -23.81 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.283 1.033 . . . . 0.0 111.994 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -69.71 -20.26 63.54 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.804 1.183 . . . . 0.0 113.903 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 C-N-CA 125.168 1.366 . . . . 0.0 113.736 -177.668 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -138.64 167.84 21.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.141 1.376 . . . . 0.0 111.47 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -77.21 59.21 3.61 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.418 1.485 . . . . 0.0 113.967 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.72 -32.82 31.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.57 1.948 . . . . 0.0 114.094 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 76.6 mtm -49.97 -32.68 15.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.39 1.476 . . . . 0.0 112.515 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -63.86 -22.81 67.09 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.49 -41.86 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.44 1.896 . . . . 0.0 109.336 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.57 -41.46 97.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.424 1.489 . . . . 0.0 111.408 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.41 -32.72 73.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.587 0.755 . . . . 0.0 112.803 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -66.96 -28.33 68.19 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.192 -0.942 . . . . 0.0 112.544 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 81.7 mt -89.34 -44.09 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.148 1.779 . . . . 0.0 110.278 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 200' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' B' ' 84' ' ' TYR . 4.0 t80 -46.24 -48.37 17.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.783 1.633 . . . . 0.0 113.32 170.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.81 -4.56 24.72 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -109.59 10.04 25.08 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.485 1.914 . . . . 0.0 112.853 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.45 -179.72 44.9 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 126.173 1.844 . . . . 0.0 115.687 -173.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.06 153.3 24.97 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.269 1.428 . . . . 0.0 114.546 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.93 -17.22 53.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.594 1.558 . . . . 0.0 114.65 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.39 -13.1 61.71 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.6 ttm -49.67 -65.3 0.59 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 0.0 111.18 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -58.94 -32.87 69.98 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.442 -0.787 . . . . 0.0 112.811 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.76 -43.34 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.076 0.95 . . . . 0.0 111.704 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 23.0 m -78.86 -37.29 40.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.9 1.28 . . . . 0.0 111.211 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 16.8 mm -55.48 -50.04 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.583 0.753 . . . . 0.0 111.145 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.52 -50.49 72.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.426 0.691 . . . . 0.0 111.317 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -57.54 -52.71 64.31 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.086 -1.009 . . . . 0.0 112.549 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.3 67.59 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -78.58 -46.83 18.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.636 0.775 . . . . 0.0 111.884 171.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 77.7 t -80.61 -20.75 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.609 1.164 . . . . 0.0 113.759 -169.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.94 -15.36 62.91 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 175.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.1 m -96.77 0.78 49.99 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.285 1.434 . . . . 0.0 114.035 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.254 1.316 0 C-N-CA 125.208 1.403 . . . . 0.0 112.652 -178.413 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -73.35 143.38 46.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.461 0.705 . . . . 0.0 111.511 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -83.58 -2.89 89.95 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.54 1.067 . . . . 0.0 114.804 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.47 -32.53 62.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 113.943 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.8 ptp -53.1 -28.36 24.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.894 1.278 . . . . 0.0 113.698 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.47 -20.52 65.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.282 1.033 . . . . 0.0 113.775 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.17 -42.71 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.375 1.47 . . . . 0.0 108.738 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -65.97 -33.06 74.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.147 1.379 . . . . 0.0 112.034 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.54 -32.65 67.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.977 0.911 . . . . 0.0 112.676 171.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -68.09 -16.4 64.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.279 -0.888 . . . . 0.0 113.218 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 37.4 mm -92.96 -45.14 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.077 1.351 . . . . 0.0 110.51 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -51.0 -41.63 59.87 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.906 1.282 . . . . 0.0 113.501 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.72 -3.51 15.69 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.59 -30.01 36.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.997 0.919 . . . . 0.0 112.648 170.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.86 170.85 26.75 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.965 1.745 . . . . 0.0 114.74 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -160.37 146.37 15.27 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.424 1.49 . . . . 0.0 111.753 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 205' ' ' ASP . . . . . 0.527 ' HA ' ' HE3' ' D' ' 208' ' ' LYS . 32.5 t70 -95.76 -23.7 16.84 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -91.94 -24.04 19.39 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -61.14 2.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.923 1.289 . . . . 0.0 110.722 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 208' ' ' LYS . . . . . 0.527 ' HE3' ' HA ' ' D' ' 205' ' ' ASP . 19.0 pttp -67.04 -24.84 66.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.456 1.502 . . . . 0.0 113.967 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -68.51 -35.23 77.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.881 0.764 . . . . 0.0 111.793 173.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.5 m -67.04 -48.06 69.47 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.238 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.1 mm -52.54 -42.35 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.31 0.644 . . . . 0.0 111.567 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -62.1 -66.03 0.6 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.117 0.567 . . . . 0.0 111.502 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -60.85 -33.5 73.15 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.55 -1.344 . . . . 0.0 113.663 -172.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.35 62.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -91.12 -36.18 14.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.935 0.894 . . . . 0.0 112.328 171.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 24.3 t -67.67 -15.0 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 124.732 1.213 . . . . 0.0 113.492 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -60.78 -15.06 25.63 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 169.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 84.8 p -73.49 -17.96 61.16 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.684 1.194 . . . . 0.0 114.17 173.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.31 1.444 . . . . 0.0 112.761 -173.725 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mmt . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 119.423 -0.322 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.7 -49.92 0.57 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 129.198 2.999 . . . . 0.0 112.576 -170.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -53.32 -29.73 4.88 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -62.13 -38.31 57.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.396 2.064 . . . . 0.0 113.007 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -80.25 -38.93 29.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.717 0.69 . . . . 0.0 111.428 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -61.94 -36.13 80.49 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.591 0.632 . . . . 0.0 112.429 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -76.59 -17.0 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.0 -52.1 7.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.753 1.16 . . . . 0.0 112.509 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.9 pt -64.09 -32.7 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 120.892 -1.13 . . . . 0.0 111.338 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.89 -22.58 73.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.612 1.101 . . . . 0.0 113.671 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -48.01 66.9 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.94 1.37 . . . . 0.0 109.549 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.84 -41.77 92.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.2 1.0 . . . . 0.0 110.897 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.98 -51.05 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.778 0.717 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.72 -29.02 72.71 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 124.368 0.985 . . . . 0.0 113.037 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.6 mt -68.39 -58.67 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 169.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 29' ' ' LEU . 68.3 t80 -59.78 -49.6 77.1 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.991 1.316 . . . . 0.0 113.815 -170.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -69.71 -20.33 63.54 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.48 -36.28 83.42 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.771 -1.206 . . . . 0.0 111.585 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 97.6 m-85 -81.18 -26.65 35.83 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.444 1.097 . . . . 0.0 113.298 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -56.34 -30.26 62.4 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.51 11.53 54.08 Favored Glycine 0 N--CA 1.471 1.013 0 C-N-CA 125.168 1.366 . . . . 0.0 114.966 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -50.12 51.9 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.403 1.602 . . . . 0.0 111.355 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -152.23 -18.11 0.18 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.925 1.69 . . . . 0.0 113.719 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.15 -157.25 20.19 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.323 1.44 . . . . 0.0 113.69 170.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -152.65 142.96 22.52 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.877 1.671 . . . . 0.0 111.014 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.7 mttp 70.09 177.41 0.27 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.073 2.149 . . . . 0.0 111.809 -174.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -74.15 60.92 0.82 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 125.488 1.515 . . . . 0.0 113.536 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -160.55 148.88 16.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.347 2.259 . . . . 0.0 110.258 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 16' ' ' PHE . 9.2 mp -118.29 149.05 41.8 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.802 1.241 . . . . 0.0 110.732 -175.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -77.57 169.83 17.62 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.009 -1.057 . . . . 0.0 111.324 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -53.69 -53.44 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.701 -1.249 . . . . 0.0 112.011 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.95 -41.31 97.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.404 1.082 . . . . 0.0 112.111 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.38 -35.13 78.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.386 1.074 . . . . 0.0 111.947 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.75 -43.09 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.606 1.162 . . . . 0.0 111.077 169.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -56.53 -38.4 71.8 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.923 -1.111 . . . . 0.0 110.811 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -66.38 -43.07 86.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.331 1.053 . . . . 0.0 112.077 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 7.4 tt -52.29 -47.93 65.61 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.516 1.053 . . . . 0.0 110.384 169.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.94 -47.31 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.206 0.912 . . . . 0.0 111.292 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -64.93 -39.66 93.86 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.988 0.813 . . . . 0.0 113.018 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -87.01 -35.75 18.61 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -87.31 -49.02 7.53 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.281 0.946 . . . . 0.0 112.786 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.9 mt -87.94 77.47 8.47 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.513 1.149 . . . . 0.0 108.834 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p -71.95 48.53 0.17 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 128.015 2.526 . . . . 0.0 113.798 -174.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.1 pt -84.95 0.27 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.191 1.796 . . . . 0.0 114.004 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.49 -11.48 55.68 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.393 1.473 . . . . 0.0 114.803 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 m 71.9 -18.0 0.33 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 128.599 2.76 . . . . 0.0 115.333 172.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.8 mttp 42.82 -110.78 0.15 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.519 1.928 . . . . 0.0 112.968 169.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -118.42 20.35 13.07 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.052 2.141 . . . . 0.0 111.677 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -87.93 -10.22 51.22 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.723 1.609 . . . . 0.0 113.325 -169.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -52.15 -42.62 63.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.633 1.56 . . . . 0.0 113.668 -172.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.48 69.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.445 1.098 . . . . 0.0 112.936 175.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -81.19 -33.4 33.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.901 1.28 . . . . 0.0 111.305 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.8 mm -63.91 -45.13 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.053 -1.029 . . . . 0.0 111.524 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.25 -22.24 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.846 0.748 . . . . 0.0 112.537 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -79.05 -38.85 35.41 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 112.194 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.15 -37.44 87.46 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.53 1.132 . . . . 0.0 111.679 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.0 ttp -57.49 -41.16 80.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.913 1.285 . . . . 0.0 111.815 169.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.35 -36.76 68.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.76 0.824 . . . . 0.0 112.863 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -64.66 -31.6 72.89 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.17 0.896 . . . . 0.0 112.544 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.43 -44.6 71.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -69.18 -20.54 64.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.93 1.292 . . . . 0.0 114.392 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -48.04 -32.4 6.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.159 1.384 . . . . 0.0 112.965 171.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -78.59 -4.48 49.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.39 1.476 . . . . 0.0 113.728 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -149.51 -130.35 0.05 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.012 1.325 . . . . 0.0 111.585 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.95 -53.39 0.09 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.06 . . . . 0.0 113.625 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -105.32 -42.92 5.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.291 1.036 . . . . 0.0 111.915 -176.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.34 157.94 44.25 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.212 1.805 . . . . 0.0 112.016 -169.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.22 102.43 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.036 2.135 . . . . 0.0 108.812 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.11 155.41 27.52 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.87 1.268 . . . . 0.0 112.452 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -51.34 -39.13 56.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.805 1.642 . . . . 0.0 114.602 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.61 -47.39 85.66 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.081 0.552 . . . . 0.0 110.866 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.06 -35.46 66.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.154 0.582 . . . . 0.0 111.161 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.44 -48.64 76.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.889 1.275 . . . . 0.0 111.815 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -74.06 -37.37 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.367 0.985 . . . . 0.0 112.075 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.8 m -54.22 -44.77 71.98 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.233 1.013 . . . . 0.0 111.041 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -70.94 -40.19 72.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.655 1.182 . . . . 0.0 113.115 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.22 -19.26 61.44 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.854 0.752 . . . . 0.0 112.581 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.17 -38.38 95.86 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.688 1.131 . . . . 0.0 112.5 169.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.53 65.3 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.135 0.967 . . . . 0.0 111.967 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.5 -18.73 64.45 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.57 -46.73 15.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 168.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.0 ttp -65.72 -26.93 67.97 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 tp -58.02 -31.41 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.721 0.808 . . . . 0.0 113.016 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -74.13 48.35 0.31 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.654 1.581 . . . . 0.0 112.332 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -50.33 -19.77 0.91 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.06 2.944 . . . . 0.0 116.735 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.65 -41.24 85.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.648 1.567 . . . . 0.0 111.568 170.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 -16.02 63.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.53 1.132 . . . . 0.0 113.428 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.93 7.81 45.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.502 1.921 . . . . 0.0 111.481 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -121.55 -45.0 2.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.395 1.478 . . . . 0.0 111.984 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.675 -1.625 . . . . 0.0 113.233 176.706 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mmm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.78 68.03 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -63.02 -39.64 54.3 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -173.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -57.88 -39.21 88.6 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.622 2.881 . . . . 0.0 114.141 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.42 -43.25 50.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.402 1.001 . . . . 0.0 111.252 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.25 -38.4 79.97 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.775 1.23 . . . . 0.0 112.817 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.94 -27.26 60.93 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.79 -48.39 25.68 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.764 1.165 . . . . 0.0 112.059 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.1 pt -64.03 -29.54 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.053 -1.029 . . . . 0.0 111.696 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.43 -27.17 73.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.309 0.956 . . . . 0.0 113.481 172.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -48.43 73.0 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.851 1.326 . . . . 0.0 110.153 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.55 -40.57 87.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.027 0.931 . . . . 0.0 111.796 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -64.4 -45.48 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.063 0.847 . . . . 0.0 110.808 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -30.84 74.54 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.358 0.98 . . . . 0.0 113.318 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -76.45 -44.04 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.159 0.984 . . . . 0.0 112.206 171.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -73.76 -54.08 8.86 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.764 0.826 . . . . 0.0 112.838 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -73.17 -21.01 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -66.21 -29.21 69.43 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.14 -0.975 . . . . 0.0 112.772 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -81.15 -30.5 34.43 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 169.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.7 m -64.47 -49.65 70.59 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.701 -1.25 . . . . 0.0 111.595 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.89 -15.59 69.39 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.032 1.301 . . . . 0.0 114.423 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -64.17 -33.32 75.53 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.296 1.048 . . . . 0.0 111.601 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -100.46 -21.5 15.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.461 1.504 . . . . 0.0 113.044 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.55 18.9 31.38 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.581 1.563 . . . . 0.0 114.021 -176.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -74.69 144.54 43.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.336 1.054 . . . . 0.0 112.885 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -77.52 -48.11 17.87 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -149.15 24.95 0.91 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.773 1.229 . . . . 0.0 113.889 -171.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -147.1 161.03 41.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.888 0.875 . . . . 0.0 113.028 -169.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt -131.47 148.61 52.66 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.91 2.084 . . . . 0.0 109.539 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.3 p -78.99 161.2 26.8 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.678 -0.639 . . . . 0.0 109.455 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -56.27 -30.28 62.24 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.861 -1.15 . . . . 0.0 113.202 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.32 -39.42 32.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 112.779 173.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.54 -36.21 82.13 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.473 1.033 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.1 tm? -60.14 -46.17 90.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.367 1.067 . . . . 0.0 109.999 169.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -58.81 -39.88 82.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.285 -0.885 . . . . 0.0 111.968 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -66.18 -41.23 90.54 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.104 0.865 . . . . 0.0 112.464 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tt -54.29 -51.9 63.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.151 0.98 . . . . 0.0 110.594 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.14 -42.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.879 -0.581 . . . . 0.0 111.757 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.32 -32.0 72.7 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.194 0.907 . . . . 0.0 113.005 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -49.99 7.51 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.573 1.079 . . . . 0.0 113.035 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -85.34 -33.0 22.15 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.986 0.914 . . . . 0.0 113.103 -169.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.8 49.94 0.95 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.92 1.688 . . . . 0.0 108.636 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -72.92 128.05 34.34 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.635 0.774 . . . . 0.0 111.29 -177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.8 pt -147.58 9.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 127.446 2.298 . . . . 0.0 112.353 -171.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.98 -11.88 46.47 Favored Glycine 0 N--CA 1.476 1.358 0 C-N-CA 125.499 1.523 . . . . 0.0 116.439 -169.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.3 m -64.03 -21.5 66.54 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.591 1.196 . . . . 0.0 112.293 169.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -109.2 -74.02 0.67 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.002 1.721 . . . . 0.0 110.922 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -153.63 148.24 26.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 128.111 2.564 . . . . 0.0 108.833 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -156.93 -83.65 0.06 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.733 0.697 . . . . 0.0 111.923 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.12 -53.59 7.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.583 1.953 . . . . 0.0 114.355 -168.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.91 66.52 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.812 0.845 . . . . 0.0 113.088 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.09 -43.26 19.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.525 0.73 . . . . 0.0 110.808 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.63 -36.48 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.83 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.7 m -66.72 -29.67 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.197 1.362 . . . . 0.0 113.038 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -81.06 -34.18 32.92 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.265 0.939 . . . . 0.0 112.891 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.29 -41.8 89.27 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.593 -1.317 . . . . 0.0 112.351 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -27.99 66.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.209 0.913 . . . . 0.0 111.855 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.91 -26.07 63.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.069 1.347 . . . . 0.0 112.895 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.67 -27.36 37.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.437 1.095 . . . . 0.0 113.386 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.38 -42.3 36.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.771 1.228 . . . . 0.0 111.693 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.91 -31.82 66.76 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.227 1.411 . . . . 0.0 114.238 -176.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -63.92 -9.49 15.72 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -68.9 -22.2 64.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.896 0.879 . . . . 0.0 112.338 169.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -136.32 -129.4 0.14 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.637 2.375 . . . . 0.0 109.528 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -150.4 6.8 0.57 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -170.66 -32.93 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.372 1.469 . . . . 0.0 112.667 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -134.29 164.28 27.74 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.177 1.391 . . . . 0.0 111.665 -171.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.72 123.97 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.448 1.499 . . . . 0.0 109.797 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -81.96 164.24 21.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.183 0.993 . . . . 0.0 111.808 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -60.79 -43.14 98.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -172.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.8 -33.66 75.24 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.206 -0.934 . . . . 0.0 111.799 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.3 -39.27 82.09 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.194 0.907 . . . . 0.0 111.399 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -61.65 -43.91 97.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.917 1.287 . . . . 0.0 111.609 172.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.08 -35.44 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.001 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 92.1 m -59.23 -43.58 92.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.387 1.075 . . . . 0.0 110.789 172.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.18 -42.74 99.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.275 172.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.86 -28.75 70.06 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.836 1.198 . . . . 0.0 112.319 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.74 95.23 Favored Glycine 0 N--CA 1.468 0.826 0 C-N-CA 124.544 1.069 . . . . 0.0 112.141 169.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.66 85.18 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 117.976 0.888 . . . . 0.0 112.819 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.47 -47.7 81.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.598 1.159 . . . . 0.0 110.801 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -31.37 72.08 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.784 1.234 . . . . 0.0 113.145 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 53.6 tpp -68.51 -40.97 80.63 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.143 0.977 . . . . 0.0 112.072 173.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.01 -34.02 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.716 0.807 . . . . 0.0 110.967 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -72.54 47.59 0.17 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.938 1.351 . . . . 0.0 112.005 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.02 -25.21 63.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.087 2.155 . . . . 0.0 115.363 -169.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.12 -42.98 79.4 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.31 0.959 . . . . 0.0 111.115 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.0 86.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.034 -1.041 . . . . 0.0 111.118 173.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.03 -2.19 17.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.96 1.704 . . . . 0.0 114.0 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -122.55 -20.06 6.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.025 1.33 . . . . 0.0 113.761 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.837 2.161 . . . . 0.0 112.831 172.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.592 0.234 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.16 -17.38 35.08 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.858 1.663 . . . . 0.0 112.524 170.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 86.87 133.66 3.73 Favored Glycine 0 C--N 1.344 0.979 0 C-N-CA 125.592 1.568 . . . . 0.0 112.918 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.26 -47.6 85.29 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.275 0.63 . . . . 0.0 112.213 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -58.97 -17.59 26.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.356 1.462 . . . . 0.0 114.326 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -86.53 -16.04 38.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 79.8 t -95.33 -40.57 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.425 1.49 . . . . 0.0 108.373 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.19 -30.98 62.48 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.713 1.605 . . . . 0.0 112.008 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -61.54 -26.71 68.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.79 1.177 . . . . 0.0 113.467 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -65.53 -25.94 67.67 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.302 -0.874 . . . . 0.0 111.954 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 28.3 mt -92.12 -36.11 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.488 1.515 . . . . 0.0 110.411 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -54.98 -41.83 71.68 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.043 -1.036 . . . . 0.0 112.766 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -70.69 -9.67 57.66 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -111.21 13.85 21.76 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.548 2.339 . . . . 0.0 112.528 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.81 147.06 37.67 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.73 1.633 . . . . 0.0 115.718 -169.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -78.18 143.02 37.56 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.293 1.437 . . . . 0.0 114.326 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.74 -29.34 51.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.741 1.216 . . . . 0.0 114.084 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -73.21 -19.4 61.1 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.014 0.825 . . . . 0.0 112.95 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.3 -38.52 87.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.846 0.748 . . . . 0.0 111.436 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.72 -30.05 71.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.847 0.859 . . . . 0.0 113.025 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -77.97 -35.43 50.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.328 0.651 . . . . 0.0 112.517 170.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 86.6 m -61.81 -53.91 49.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.827 1.651 . . . . 0.0 111.638 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.05 -29.15 42.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -75.65 -54.96 6.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.192 0.997 . . . . 0.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.31 -41.25 96.67 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.634 -1.291 . . . . 0.0 112.066 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.15 68.35 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -74.32 -45.94 44.14 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.735 0.698 . . . . 0.0 110.997 170.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.88 -42.18 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 125.273 1.429 . . . . 0.0 114.041 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -70.54 -6.52 36.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.142 1.777 . . . . 0.0 115.338 -169.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 72.9 m -126.45 144.37 50.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.866 1.266 . . . . 0.0 110.338 169.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.084 1.753 . . . . 0.0 112.017 -178.518 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -162.27 164.54 27.54 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.452 1.501 . . . . 0.0 111.252 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -162.84 145.9 11.17 Favored Glycine 0 N--CA 1.471 0.988 0 C-N-CA 124.977 1.275 . . . . 0.0 112.649 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.29 -32.95 73.75 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.394 1.078 . . . . 0.0 113.657 -174.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -54.09 -29.76 45.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.702 1.201 . . . . 0.0 113.824 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -67.51 -17.18 64.57 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.17 -35.69 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.437 1.495 . . . . 0.0 109.794 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.25 -31.9 73.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.44 1.096 . . . . 0.0 111.238 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -52.35 -32.95 40.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.973 1.309 . . . . 0.0 112.607 170.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -71.18 -15.15 62.46 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.894 -1.129 . . . . 0.0 113.146 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.82 -43.5 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.495 1.518 . . . . 0.0 110.789 170.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.36 -43.83 68.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.702 0.801 . . . . 0.0 113.005 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.24 -0.64 15.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.637 1.575 . . . . 0.0 113.844 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.57 -23.36 53.53 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.981 0.912 . . . . 0.0 112.051 169.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.25 15.85 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.494 1.997 . . . . 0.0 113.432 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.49 159.21 21.81 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.336 1.854 . . . . 0.0 110.725 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -155.79 -50.41 0.08 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.34 -28.64 63.18 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.887 0.767 . . . . 0.0 112.64 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 17.7 mmt -48.56 -50.07 33.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.707 1.203 . . . . 0.0 111.054 169.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.53 -20.4 66.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.252 1.021 . . . . 0.0 112.934 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -88.25 -42.15 12.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.713 0.805 . . . . 0.0 111.919 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.1 m -70.5 -48.27 56.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 111.879 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.63 -44.32 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.864 0.466 . . . . 0.0 110.236 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -55.07 -60.83 2.84 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.863 0.465 . . . . 0.0 111.546 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -61.37 -37.13 82.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.995 -1.066 . . . . 0.0 113.017 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.45 84.1 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -79.32 -37.42 37.65 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.066 0.546 . . . . 0.0 111.729 175.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 22.8 t -58.24 -40.28 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.084 1.353 . . . . 0.0 112.073 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.46 -10.83 48.14 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.444 1.498 . . . . 0.0 113.646 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 58.7 m -119.94 5.1 10.91 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.305 1.442 . . . . 0.0 113.885 172.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.116 1.366 . . . . 0.0 113.329 -177.72 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.06 -22.81 58.12 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -169.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -40.86 -49.88 7.54 Favored Pre-proline 0 N--CA 1.478 0.972 0 N-CA-C 117.352 2.352 . . . . 0.0 117.352 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.22 -28.87 33.4 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.116 1.877 . . . . 0.0 113.527 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -82.21 -39.47 23.07 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.168 0.894 . . . . 0.0 112.096 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.68 -36.57 79.07 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.827 1.651 . . . . 0.0 112.555 -176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -67.21 -30.8 70.83 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 170.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.98 -47.15 14.03 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.455 1.025 . . . . 0.0 112.262 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -62.84 -29.12 46.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.763 0.711 . . . . 0.0 111.343 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -25.47 73.88 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-O 118.283 -1.287 . . . . 0.0 114.146 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -49.25 55.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.704 1.752 . . . . 0.0 109.802 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.54 HD23 HD11 ' B' ' 5' ' ' LEU . 11.8 mt -57.68 -41.97 82.66 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.656 1.182 . . . . 0.0 111.998 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.89 -38.67 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.761 0.71 . . . . 0.0 111.15 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.31 -47.95 88.07 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.434 1.016 . . . . 0.0 112.102 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.93 -36.73 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.376 1.088 . . . . 0.0 111.717 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.31 -59.8 3.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.949 0.9 . . . . 0.0 111.788 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -23.44 61.6 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -170.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -53.62 -42.86 68.19 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.025 1.33 . . . . 0.0 111.047 169.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.5 -38.79 25.74 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 117.791 -1.1 . . . . 0.0 113.716 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.3 m -58.82 -29.33 66.82 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.662 1.573 . . . . 0.0 113.769 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.82 60.6 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.848 -0.973 . . . . 0.0 114.89 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.6 -51.99 24.46 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.358 1.579 . . . . 0.0 111.863 171.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -89.59 -28.84 19.28 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.564 0.62 . . . . 0.0 112.31 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.46 126.69 0.89 Allowed Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.41 1.005 . . . . 0.0 112.68 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.64 110.6 1.03 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.474 1.51 . . . . 0.0 112.703 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -167.03 163.33 15.87 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.179 1.792 . . . . 0.0 110.051 -170.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 20.04 0.06 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -141.47 143.25 33.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.039 1.735 . . . . 0.0 111.55 -172.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 mt -104.75 137.72 42.13 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 0.0 109.465 169.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.2 m -78.48 157.82 28.8 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.21 -0.931 . . . . 0.0 111.045 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -58.24 -36.17 72.8 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.049 -1.657 . . . . 0.0 114.863 -169.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -78.3 -30.75 48.55 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -67.01 -41.95 85.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.094 1.758 . . . . 0.0 109.989 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.67 -45.77 88.66 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.729 2.012 . . . . 0.0 110.104 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.13 -43.11 99.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.774 -1.203 . . . . 0.0 111.781 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -62.12 -36.5 81.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.418 0.687 . . . . 0.0 112.327 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.57 -50.46 73.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.686 0.794 . . . . 0.0 110.111 169.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.33 -41.26 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 118.02 -0.991 . . . . 0.0 111.631 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -59.51 -32.54 70.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.293 1.406 . . . . 0.0 112.958 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -84.76 -39.18 18.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.621 0.768 . . . . 0.0 112.585 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.38 -67.14 0.46 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.924 0.89 . . . . 0.0 110.341 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -94.54 76.43 3.81 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.865 1.266 . . . . 0.0 110.146 -171.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p -81.14 88.75 5.98 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -77.53 -10.78 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.138 0.975 . . . . 0.0 111.949 -169.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.2 -144.86 17.36 Favored Glycine 0 N--CA 1.473 1.142 0 O-C-N 120.96 -1.087 . . . . 0.0 115.322 168.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 m -76.57 38.16 0.19 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.933 2.093 . . . . 0.0 115.132 -169.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.34 144.87 22.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.986 1.714 . . . . 0.0 111.745 174.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.71 129.54 41.51 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.2 1.4 . . . . 0.0 110.957 -170.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.49 -23.09 4.16 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -56.28 -42.91 78.27 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.168 1.349 . . . . 0.0 113.559 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.17 68.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 113.429 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -81.02 -38.7 27.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.403 0.681 . . . . 0.0 111.118 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -67.21 -37.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.226 0.921 . . . . 0.0 112.103 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.81 -29.44 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.639 1.109 . . . . 0.0 112.024 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.46 -33.08 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 170.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -46.85 88.28 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.788 -1.195 . . . . 0.0 111.341 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -64.95 -28.87 69.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.5 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.87 -31.1 70.68 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.504 1.047 . . . . 0.0 112.64 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.19 -19.4 47.14 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 170.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.34 -40.82 25.93 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.379 1.071 . . . . 0.0 110.778 169.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.68 -6.69 33.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.115 2.166 . . . . 0.0 112.919 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -58.74 -22.17 57.05 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.815 1.246 . . . . 0.0 112.554 172.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -81.88 -30.61 31.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.59 1.556 . . . . 0.0 113.129 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -171.35 129.67 0.71 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.269 2.628 . . . . 0.0 110.334 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.42 -17.48 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 -168.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -108.16 -22.61 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -161.23 160.21 29.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.291 1.037 . . . . 0.0 112.28 -169.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.9 114.65 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.398 1.479 . . . . 0.0 109.656 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -77.83 149.61 34.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -53.05 -40.42 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -175.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -61.82 -40.73 96.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.257 -0.902 . . . . 0.0 111.323 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -74.35 -31.98 62.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.509 1.124 . . . . 0.0 111.854 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.58 -45.12 94.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.795 1.238 . . . . 0.0 111.163 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mm -64.71 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.35 -0.844 . . . . 0.0 110.95 173.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -59.5 -44.47 93.09 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.399 1.08 . . . . 0.0 110.971 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -62.97 -40.63 98.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.601 0.76 . . . . 0.0 112.202 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.88 -27.62 68.35 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.423 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.39 93.25 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.005 0.812 . . . . 0.0 112.57 170.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.51 -45.23 76.41 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 117.821 0.81 . . . . 0.0 111.517 170.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.44 -44.31 80.33 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.757 1.223 . . . . 0.0 111.601 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.87 78.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.137 1.375 . . . . 0.0 113.093 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.46 -33.38 58.73 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.522 0.729 . . . . 0.0 112.619 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -35.88 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.493 -0.755 . . . . 0.0 110.564 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -72.26 52.63 0.27 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.819 1.248 . . . . 0.0 111.339 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -52.44 -28.0 18.3 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.86 -35.8 58.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.946 1.248 . . . . 0.0 112.694 170.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -22.17 66.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.796 1.238 . . . . 0.0 113.107 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -100.71 12.47 37.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.286 1.834 . . . . 0.0 112.062 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -127.21 -42.87 1.67 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.113 1.365 . . . . 0.0 112.924 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 C-N-CA 126.695 2.093 . . . . 0.0 112.074 177.327 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 110.804 -0.073 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.58 -26.54 55.17 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -169.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -48.49 -40.9 42.96 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -169.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.14 -42.58 34.87 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.492 2.128 . . . . 0.0 113.184 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.54 HD11 HD23 ' A' ' 12' ' ' LEU . 11.4 tp -80.25 -39.2 29.42 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.348 0.522 . . . . 0.0 111.658 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -33.99 77.29 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.553 1.141 . . . . 0.0 112.23 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.99 -24.95 58.5 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.774 0.716 . . . . 0.0 112.419 171.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.86 30.68 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.902 1.228 . . . . 0.0 111.93 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.5 pt -64.89 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.418 1.008 . . . . 0.0 110.064 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -22.77 66.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.49 1.519 . . . . 0.0 114.004 170.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -51.19 18.63 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.155 1.477 . . . . 0.0 109.647 172.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.34 -43.91 83.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.954 0.901 . . . . 0.0 111.01 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.41 -42.57 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 118.249 0.477 . . . . 0.0 111.097 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -38.35 94.2 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.005 0.821 . . . . 0.0 112.834 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 33.0 mt -67.0 -36.04 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.241 1.017 . . . . 0.0 111.744 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.97 -51.66 13.1 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.955 0.902 . . . . 0.0 112.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -25.38 60.76 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -169.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -64.57 -33.15 75.24 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.862 -0.524 . . . . 0.0 112.276 171.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -82.52 -41.99 18.97 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.7 p -66.49 -11.48 52.54 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 -3.26 78.86 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.301 0.953 . . . . 0.0 114.972 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -74.75 -52.52 11.31 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.222 1.511 . . . . 0.0 112.691 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -124.78 -40.57 2.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.215 1.406 . . . . 0.0 111.7 -169.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -153.2 26.33 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.504 1.526 . . . . 0.0 113.564 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -165.24 164.52 20.02 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.38 1.872 . . . . 0.0 111.832 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 83.3 tttt 57.92 -101.64 0.13 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.803 1.641 . . . . 0.0 112.528 175.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.436 ' CD2' HD21 ' B' ' 69' ' ' ASN . 0.3 OUTLIER -133.1 25.47 4.23 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.793 1.637 . . . . 0.0 114.441 -169.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.4 p -127.89 151.53 48.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.609 1.164 . . . . 0.0 112.402 176.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.49 137.59 49.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.339 1.856 . . . . 0.0 109.87 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -78.41 166.13 22.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.349 -0.844 . . . . 0.0 111.058 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.93 -51.65 68.77 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.048 -1.658 . . . . 0.0 113.682 -170.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -72.77 -30.11 63.85 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.575 -0.703 . . . . 0.0 112.155 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.28 -42.41 93.2 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.289 1.436 . . . . 0.0 110.909 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.02 -46.15 85.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.39 1.076 . . . . 0.0 111.175 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.39 -37.8 76.03 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.28 -0.888 . . . . 0.0 111.797 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -66.47 -41.6 88.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.239 1.016 . . . . 0.0 111.696 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -55.57 -55.81 27.66 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.292 1.037 . . . . 0.0 110.109 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.06 -40.45 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.808 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -76.01 -12.68 60.18 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.817 1.644 . . . . 0.0 114.047 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.12 -41.55 15.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.607 1.094 . . . . 0.0 112.216 169.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.36 -56.15 4.54 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.139 0.427 . . . . 0.0 111.219 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.83 74.41 5.71 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.364 1.466 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.2 p -76.82 71.09 3.34 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.179 1.791 . . . . 0.0 110.329 174.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.09 134.6 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.899 1.28 . . . . 0.0 111.323 -175.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.65 -2.93 84.25 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 117.363 1.705 . . . . 0.0 117.363 -169.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 79.5 p -163.98 172.7 13.55 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.863 1.831 . . . . 0.0 113.586 -171.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt 72.79 174.3 0.29 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 127.6 2.36 . . . . 0.0 113.655 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 34.7 tp -82.33 54.25 2.52 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.849 1.66 . . . . 0.0 108.104 168.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -62.41 -24.52 67.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.737 1.615 . . . . 0.0 114.615 -169.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -54.82 -39.42 68.5 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.672 1.124 . . . . 0.0 112.658 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.08 69.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.626 1.17 . . . . 0.0 112.877 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.31 -37.43 28.39 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.742 1.217 . . . . 0.0 111.078 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.81 -43.94 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.877 0.871 . . . . 0.0 111.731 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.83 -27.29 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.664 1.12 . . . . 0.0 112.435 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -72.1 -40.23 68.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.079 0.854 . . . . 0.0 111.951 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.65 -39.73 94.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.279 0.632 . . . . 0.0 111.435 174.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.54 -41.47 80.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.852 0.861 . . . . 0.0 110.583 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 -28.56 69.98 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -77.4 -25.84 51.18 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.624 1.102 . . . . 0.0 112.92 173.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -80.59 -39.87 26.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.868 1.667 . . . . 0.0 111.69 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.36 -7.26 29.69 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.257 2.223 . . . . 0.0 113.336 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -53.83 -21.94 8.61 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 169.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -61.81 -43.99 97.74 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -166.36 149.33 7.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.857 1.663 . . . . 0.0 111.561 -171.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -55.02 -24.97 27.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.9 2.08 . . . . 0.0 116.112 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -120.36 -19.53 7.58 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -170.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -160.74 155.86 24.45 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.434 1.015 . . . . 0.0 113.119 -169.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 65.1 t -99.75 119.8 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.701 2.0 . . . . 0.0 109.022 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.436 HD21 ' CD2' ' B' ' 27' ' ' HIS . 28.0 t-20 -81.26 149.21 29.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -49.34 -44.89 44.89 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.986 1.714 . . . . 0.0 114.378 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.83 -35.29 78.34 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.41 -38.31 77.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.941 0.496 . . . . 0.0 111.455 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.16 -43.69 95.58 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.306 -0.871 . . . . 0.0 111.894 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.47 -47.79 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.225 -0.922 . . . . 0.0 111.03 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -59.69 -44.16 93.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.438 1.095 . . . . 0.0 111.551 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -65.93 -40.22 91.2 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.836 1.255 . . . . 0.0 111.746 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.14 -26.54 68.58 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 112.178 171.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.56 94.57 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-N 118.939 0.79 . . . . 0.0 112.092 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.36 87.45 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.051 0.925 . . . . 0.0 111.815 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -57.19 -46.97 82.37 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.602 1.161 . . . . 0.0 110.712 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.95 89.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.555 1.542 . . . . 0.0 111.874 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -69.48 -29.66 67.36 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.34 -0.85 . . . . 0.0 113.175 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.31 -25.74 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.883 1.273 . . . . 0.0 113.729 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -56.24 -38.64 71.36 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.301 0.955 . . . . 0.0 110.677 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.05 -46.43 0.28 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.849 3.259 . . . . 0.0 116.272 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -58.71 -37.7 76.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.933 1.293 . . . . 0.0 111.047 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.55 -19.18 64.58 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.03 6.71 41.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.304 1.842 . . . . 0.0 112.539 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -122.92 -32.22 3.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.208 1.403 . . . . 0.0 113.201 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.306 0 C-N-CA 125.547 1.546 . . . . 0.0 113.092 178.863 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.485 0.183 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.2 -26.46 60.28 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.179 0.992 . . . . 0.0 112.148 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 76.08 -27.83 1.42 Allowed Glycine 0 N--CA 1.474 1.185 0 C-N-CA 125.571 1.558 . . . . 0.0 115.599 171.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.23 -65.75 0.51 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.389 1.875 . . . . 0.0 111.453 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -28.53 13.49 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.242 1.817 . . . . 0.0 114.106 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -74.64 -14.43 60.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.61 -35.92 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.85 1.26 . . . . 0.0 109.328 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.37 -36.43 79.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.775 2.03 . . . . 0.0 111.624 172.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -52.22 -39.42 60.2 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.375 1.07 . . . . 0.0 111.771 173.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -58.02 -24.99 60.53 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -84.3 -36.62 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.998 1.319 . . . . 0.0 111.753 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -67.35 -35.95 80.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.103 -0.998 . . . . 0.0 111.232 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.0 -1.15 11.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 113.998 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -106.6 -32.3 8.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.719 1.208 . . . . 0.0 113.732 173.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -157.89 149.24 19.58 Favored Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.908 1.123 . . . . 0.0 115.908 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.99 103.81 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 129.067 2.947 . . . . 0.0 108.179 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -149.32 -47.13 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -89.17 -32.78 17.3 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.421 1.01 . . . . 0.0 112.887 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.5 ttm -51.1 -54.82 21.49 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.152 0.581 . . . . 0.0 110.79 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -58.94 -27.24 65.13 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.65 -42.3 51.74 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.101 0.864 . . . . 0.0 111.283 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 17.9 m -65.35 -38.1 89.07 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.198 0.999 . . . . 0.0 112.568 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 18.1 mm -59.27 -45.76 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.331 0.968 . . . . 0.0 110.947 173.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -61.89 -45.87 91.84 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.073 -0.392 . . . . 0.0 111.709 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.44 -44.39 89.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.096 0.862 . . . . 0.0 112.83 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.72 -34.41 78.26 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -74.68 -38.1 62.49 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.164 0.438 . . . . 0.0 112.079 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 35.9 t -57.82 -32.58 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.576 1.15 . . . . 0.0 111.984 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.92 -24.39 66.82 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.637 1.175 . . . . 0.0 112.995 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 58.7 m -100.55 -8.65 22.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.493 1.117 . . . . 0.0 114.008 173.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.132 0 C-N-CA 125.355 1.462 . . . . 0.0 113.126 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -117.89 149.0 41.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.632 1.173 . . . . 0.0 111.282 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -115.71 -7.64 15.3 Favored Glycine 0 N--CA 1.474 1.172 0 C-N-CA 125.072 1.32 . . . . 0.0 115.447 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -67.24 0.46 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.144 1.472 . . . . 0.0 111.246 -173.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -25.64 20.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.681 1.193 . . . . 0.0 113.57 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -65.72 -19.38 65.88 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 90.9 t -99.26 -36.86 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.043 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.43 -31.32 57.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.887 1.675 . . . . 0.0 111.87 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -63.49 -26.03 68.53 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.686 -1.259 . . . . 0.0 113.036 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -56.75 -30.87 64.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.576 1.151 . . . . 0.0 111.953 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 54.1 mt -87.11 -42.66 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.082 1.753 . . . . 0.0 110.161 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.89 -38.23 72.51 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.31 -0.869 . . . . 0.0 112.907 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -73.7 -3.11 26.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.151 1.38 . . . . 0.0 114.053 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -104.94 -42.58 5.3 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.609 1.564 . . . . 0.0 110.822 169.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.82 -166.27 54.84 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.761 1.648 . . . . 0.0 115.718 169.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.23 147.46 20.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.896 1.678 . . . . 0.0 111.577 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.59 -33.32 25.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.79 -21.38 20.71 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 49.2 tpp -45.53 -60.86 1.95 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.56 1.544 . . . . 0.0 110.824 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -60.79 -34.41 74.46 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.783 1.233 . . . . 0.0 112.823 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -74.06 -45.29 50.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.51 0.724 . . . . 0.0 111.737 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.6 m -72.38 -35.26 68.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.73 0.812 . . . . 0.0 112.581 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.5 mt -58.13 -44.27 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.439 0.696 . . . . 0.0 110.531 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.49 -47.64 72.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.452 0.701 . . . . 0.0 112.138 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.761 -1.212 . . . . 0.0 112.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.63 -31.35 71.44 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -73.33 -46.82 47.14 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.955 0.902 . . . . 0.0 110.983 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.06 -45.4 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 125.064 1.346 . . . . 0.0 111.865 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.09 -8.86 52.91 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.58 1.552 . . . . 0.0 113.535 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 23.1 m -107.53 -6.07 17.21 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.982 1.313 . . . . 0.0 113.718 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.393 1.477 . . . . 0.0 113.199 -176.36 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.553 -0.165 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.22 14.55 0.3 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -172.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -55.65 -36.87 50.67 Favored Pre-proline 0 CA--C 1.552 1.03 0 O-C-N 119.868 -1.77 . . . . 0.0 114.42 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -70.38 -32.41 16.04 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.246 2.63 . . . . 0.0 113.204 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.2 -42.81 59.21 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -54.22 -43.64 70.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.396 1.479 . . . . 0.0 112.067 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.88 -16.57 60.03 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -50.41 9.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.558 1.072 . . . . 0.0 112.546 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 pt -61.85 -32.86 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.371 0.987 . . . . 0.0 111.083 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.53 76.21 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.861 1.22 . . . . 0.0 114.078 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -48.76 51.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.158 1.479 . . . . 0.0 110.045 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.36 -40.63 91.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.533 0.733 . . . . 0.0 111.241 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -68.04 -43.49 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.178 0.899 . . . . 0.0 110.907 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.42 -35.04 91.46 Favored Glycine 0 N--CA 1.468 0.776 0 C-N-CA 124.392 0.996 . . . . 0.0 113.15 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.13 -52.07 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.462 1.105 . . . . 0.0 110.835 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.58 -45.27 87.71 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -69.42 -22.96 63.64 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -53.95 -45.94 71.45 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.168 -0.958 . . . . 0.0 110.967 169.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.7 -31.76 28.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.734 1.613 . . . . 0.0 114.112 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -79.35 -42.4 25.71 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.98 -1.075 . . . . 0.0 111.92 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.78 -14.46 58.3 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.92 1.248 . . . . 0.0 114.14 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -61.37 -34.55 75.5 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.923 1.289 . . . . 0.0 111.495 169.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -94.63 -42.0 9.01 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.023 1.329 . . . . 0.0 111.297 171.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.51 1.22 90.45 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.894 1.235 . . . . 0.0 115.367 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -74.36 -39.27 62.87 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.509 1.155 . . . . 0.0 113.572 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -169.89 178.91 3.82 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.582 1.553 . . . . 0.0 112.445 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CE1' HD21 ' A' ' 69' ' ' ASN . 3.0 p-80 -76.05 55.66 0.94 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.066 1.747 . . . . 0.0 113.526 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 t -146.52 154.44 41.55 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.4 1.48 . . . . 0.0 111.983 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.2 mt -123.18 147.91 46.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.27 1.828 . . . . 0.0 110.205 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 p -79.35 165.38 23.19 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 109.187 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -56.26 -41.57 76.03 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.38 -1.45 . . . . 0.0 112.617 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.74 -36.69 73.28 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.137 -0.977 . . . . 0.0 112.467 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.83 -35.17 76.65 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.876 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.37 -44.78 96.58 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.63 0.772 . . . . 0.0 110.485 169.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.04 -37.98 81.4 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.008 -1.058 . . . . 0.0 111.86 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.52 -42.95 99.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.941 0.896 . . . . 0.0 112.099 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.69 -55.03 40.14 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.126 0.97 . . . . 0.0 111.082 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.31 -43.92 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.031 0.832 . . . . 0.0 111.934 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -67.26 -26.57 66.63 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.79 -55.78 3.56 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.84 -15.1 35.35 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.094 1.758 . . . . 0.0 115.0 -168.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.91 46.98 2.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.063 1.345 . . . . 0.0 110.075 -175.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.9 p -62.15 119.03 8.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.813 1.645 . . . . 0.0 111.693 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 pt -88.91 0.8 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.334 1.454 . . . . 0.0 113.57 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.74 -157.03 33.74 Favored Glycine 0 N--CA 1.472 1.08 0 C-N-CA 125.335 1.445 . . . . 0.0 111.696 -173.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.8 p -84.8 6.98 22.34 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -63.54 119.26 9.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.123 0.969 . . . . 0.0 111.188 169.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.1 tp -75.93 106.76 7.69 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.087 0.955 . . . . 0.0 110.965 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -130.95 10.82 5.05 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.93 1.292 . . . . 0.0 112.182 174.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.19 -41.26 60.11 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.955 1.252 . . . . 0.0 114.178 -169.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.87 69.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.949 0.899 . . . . 0.0 113.39 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -81.54 -33.83 31.5 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.434 1.094 . . . . 0.0 111.671 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.39 -41.74 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.306 -0.871 . . . . 0.0 111.034 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.71 -25.05 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.074 1.307 . . . . 0.0 112.896 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -76.87 -36.53 56.7 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.105 -0.997 . . . . 0.0 112.52 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.05 -41.27 95.33 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.548 1.139 . . . . 0.0 111.441 170.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 ttp -58.6 -43.59 89.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.651 1.181 . . . . 0.0 110.933 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.56 -35.07 79.8 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.081 0.952 . . . . 0.0 113.02 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.81 -24.07 60.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.52 -46.92 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.334 1.454 . . . . 0.0 110.572 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.01 -17.32 63.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.021 2.128 . . . . 0.0 114.301 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.33 -14.73 3.12 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.395 1.078 . . . . 0.0 113.572 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.91 -35.37 45.25 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.697 1.599 . . . . 0.0 113.59 169.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -147.44 -22.74 0.38 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 79.37 18.68 0.77 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.859 2.463 . . . . 0.0 111.794 -170.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -158.1 -33.44 0.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.301 1.841 . . . . 0.0 112.522 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -142.29 155.1 45.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.005 1.322 . . . . 0.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -120.06 121.39 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.31 1.844 . . . . 0.0 110.453 170.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.512 HD21 ' CE1' ' A' ' 27' ' ' HIS . 26.9 t-20 -79.78 154.69 28.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.375 1.07 . . . . 0.0 112.175 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -47.52 -41.92 22.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.065 1.346 . . . . 0.0 114.606 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -59.61 -45.68 91.19 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.47 -0.769 . . . . 0.0 111.539 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -73.65 -29.73 62.51 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.283 0.633 . . . . 0.0 112.211 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -62.35 -46.5 88.41 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.283 -0.886 . . . . 0.0 111.95 171.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.64 -43.17 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.016 0.825 . . . . 0.0 110.826 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.0 m -60.12 -44.81 94.62 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.442 1.097 . . . . 0.0 111.188 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -62.83 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.089 0.956 . . . . 0.0 112.326 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.29 -25.64 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.021 0.828 . . . . 0.0 111.969 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.18 -42.3 84.13 Favored Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.05 0.833 . . . . 0.0 112.496 169.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.16 -33.55 75.66 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.315 0.646 . . . . 0.0 112.538 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -69.98 -40.53 75.31 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.121 0.968 . . . . 0.0 111.213 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.5 81.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.673 -0.642 . . . . 0.0 111.255 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.7 ttt -69.56 -37.07 76.86 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.974 0.91 . . . . 0.0 113.161 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -63.64 -30.68 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.05 1.295 . . . . 0.0 112.148 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -74.4 50.39 0.41 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.613 1.165 . . . . 0.0 111.51 169.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -49.42 -29.4 6.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.461 2.305 . . . . 0.0 115.282 -171.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -53.28 -36.92 61.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 113.011 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.64 -20.76 64.48 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.485 1.114 . . . . 0.0 113.546 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.11 1.95 50.6 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.677 1.991 . . . . 0.0 111.613 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -115.5 -47.5 2.82 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.72 1.608 . . . . 0.0 112.138 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.789 2.138 . . . . 0.0 111.683 178.892 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 119.159 -0.448 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.31 40.04 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 p -57.17 -32.72 14.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.79 -36.99 81.66 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.806 2.337 . . . . 0.0 113.389 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 30.4 tp -79.67 -39.5 31.22 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.405 0.548 . . . . 0.0 111.438 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.66 -43.91 76.74 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.238 1.015 . . . . 0.0 112.211 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -70.31 -22.68 62.8 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -47.46 13.99 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.431 1.014 . . . . 0.0 112.195 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -63.76 -32.97 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.391 0.996 . . . . 0.0 110.928 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.07 72.31 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 125.075 1.321 . . . . 0.0 113.705 170.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -52.98 48.05 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.908 1.354 . . . . 0.0 111.071 170.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.46 -39.58 84.12 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.447 0.699 . . . . 0.0 111.596 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.85 -48.9 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.729 0.695 . . . . 0.0 111.099 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.55 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.383 0.992 . . . . 0.0 113.434 -174.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.6 mt -72.14 -54.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 169.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.85 -43.13 99.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.824 0.738 . . . . 0.0 112.71 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.1 -18.0 60.86 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -59.92 -44.13 94.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.703 0.801 . . . . 0.0 110.877 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -80.6 -30.88 36.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.516 1.126 . . . . 0.0 113.155 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -70.73 -41.16 72.23 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.19 0.904 . . . . 0.0 112.774 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.11 -14.73 61.89 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 124.7 1.143 . . . . 0.0 113.977 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.89 -31.93 73.29 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.853 1.261 . . . . 0.0 112.008 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -93.67 -45.8 7.54 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.684 1.194 . . . . 0.0 110.627 170.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.08 -8.95 56.26 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.499 1.524 . . . . 0.0 116.181 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.62 -30.16 62.8 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.697 1.199 . . . . 0.0 113.613 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -171.79 169.89 5.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.838 2.055 . . . . 0.0 112.188 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 53.55 0.61 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.505 1.922 . . . . 0.0 113.314 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.16 148.54 52.48 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.43 1.492 . . . . 0.0 110.151 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.9 mt -112.67 145.15 40.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.634 1.573 . . . . 0.0 108.706 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -79.14 168.88 18.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.137 -0.977 . . . . 0.0 109.205 169.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -57.21 -38.39 73.65 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.403 -1.435 . . . . 0.0 111.809 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -75.29 -34.52 61.31 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -72.62 -33.54 66.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.86 1.209 . . . . 0.0 111.646 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.81 -48.07 82.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.508 0.723 . . . . 0.0 109.97 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' B' ' 38' ' ' ILE . 43.5 mtpt -56.9 -26.74 59.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 117.808 -1.091 . . . . 0.0 113.45 171.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.62 -47.38 69.78 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.995 1.725 . . . . 0.0 110.595 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.76 -58.34 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.258 1.023 . . . . 0.0 111.461 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.437 HG12 ' HA ' ' B' ' 35' ' ' LYS . 39.2 pt -72.73 -19.77 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -171.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -79.84 -29.48 40.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 120.852 1.66 . . . . 0.0 112.258 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -86.06 -47.24 9.73 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.598 1.09 . . . . 0.0 113.671 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -55.92 4.05 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.376 0.671 . . . . 0.0 110.529 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 72.7 mt -89.85 39.39 0.96 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.296 0.953 . . . . 0.0 111.051 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.7 t -55.5 137.17 49.11 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.131 1.773 . . . . 0.0 112.985 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 pp -116.75 11.53 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 127.238 2.215 . . . . 0.0 112.133 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.09 -151.02 51.63 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.945 1.26 . . . . 0.0 114.276 173.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -77.78 -4.07 44.57 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.745 1.218 . . . . 0.0 114.243 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -63.83 149.83 46.1 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.379 1.071 . . . . 0.0 112.363 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -75.52 45.2 0.3 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.447 1.499 . . . . 0.0 112.973 174.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -86.91 1.11 53.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.729 1.612 . . . . 0.0 112.047 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.38 -31.57 63.96 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.126 1.37 . . . . 0.0 113.205 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.89 69.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.941 0.896 . . . . 0.0 113.092 174.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -81.67 -38.68 25.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.116 0.966 . . . . 0.0 111.064 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mm -60.72 -43.93 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.961 0.904 . . . . 0.0 111.56 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.68 -29.86 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.96 -37.06 55.97 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.279 -0.888 . . . . 0.0 111.95 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.4 HD22 HD12 ' B' ' 38' ' ' ILE . 8.7 tt -62.17 -43.74 98.16 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.204 0.911 . . . . 0.0 111.895 170.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 33.5 ttp -56.67 -44.9 81.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.02 1.328 . . . . 0.0 111.975 172.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.54 -37.02 73.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.744 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -65.96 -32.0 73.23 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.966 1.307 . . . . 0.0 112.358 173.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -67.58 -48.24 67.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.552 1.541 . . . . 0.0 110.804 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.2 -25.37 67.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 114.141 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -54.22 -27.61 35.6 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.961 1.255 . . . . 0.0 113.627 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -80.6 -14.53 58.12 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.864 0.866 . . . . 0.0 113.288 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -132.05 -142.98 0.22 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.488 2.315 . . . . 0.0 109.147 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.83 101.93 1.65 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.229 1.411 . . . . 0.0 111.172 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 75.38 12.04 3.29 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.965 2.506 . . . . 0.0 112.611 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.59 157.84 30.55 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.401 1.88 . . . . 0.0 109.903 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.0 t -119.76 102.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.2 1.8 . . . . 0.0 107.734 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -85.3 156.49 20.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.789 0.836 . . . . 0.0 112.177 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -55.19 -41.91 72.56 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -169.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.06 -44.74 96.03 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.78 -0.575 . . . . 0.0 110.584 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -73.76 -30.88 63.04 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.076 0.951 . . . . 0.0 112.235 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.65 -47.41 84.53 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.556 0.742 . . . . 0.0 111.394 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 mt -72.16 -34.54 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 O-C-N 121.172 -0.955 . . . . 0.0 112.125 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 63.5 m -55.46 -44.93 76.89 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.994 0.816 . . . . 0.0 110.873 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.32 -36.46 79.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.895 0.878 . . . . 0.0 113.072 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.17 -19.82 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.328 0.967 . . . . 0.0 112.479 171.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.72 86.42 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 119.494 1.043 . . . . 0.0 111.731 169.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.63 75.56 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.356 1.078 . . . . 0.0 112.531 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.01 -43.63 87.12 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.619 0.768 . . . . 0.0 110.761 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -34.42 75.61 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.624 1.17 . . . . 0.0 112.428 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.5 mtp -68.35 -19.11 64.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -70.81 -28.97 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.856 1.207 . . . . 0.0 111.843 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -78.33 46.03 0.6 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.066 1.346 . . . . 0.0 109.636 168.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.24 -28.4 27.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -168.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -58.97 -34.34 71.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.154 -0.966 . . . . 0.0 112.512 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.25 -15.16 62.88 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.984 1.314 . . . . 0.0 113.624 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.4 mt -102.95 -17.16 15.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.391 1.476 . . . . 0.0 112.929 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -84.94 -44.22 13.33 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.816 1.247 . . . . 0.0 112.198 173.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.4 0 C-N-CA 125.453 1.501 . . . . 0.0 113.915 -177.343 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 41.6 p . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -72.41 143.79 48.4 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.558 1.143 . . . . 0.0 112.29 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -80.68 46.63 3.34 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.127 1.346 . . . . 0.0 111.837 171.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.1 -43.57 66.94 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.713 1.605 . . . . 0.0 113.492 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -54.55 -29.09 49.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.171 1.388 . . . . 0.0 113.749 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -68.54 -22.28 64.51 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.3 t -95.85 -40.43 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.581 1.552 . . . . 0.0 108.742 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -57.88 -45.35 86.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.833 1.253 . . . . 0.0 110.28 169.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.89 -38.42 82.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.357 0.663 . . . . 0.0 112.371 174.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -66.54 -12.66 58.74 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 36.1 mm -96.22 -47.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.249 0.931 . . . . 0.0 110.085 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.24 -46.8 35.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.162 1.385 . . . . 0.0 113.842 174.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.66 -1.72 17.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -172.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.95 -20.99 60.19 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.067 0.947 . . . . 0.0 112.911 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 155.23 15.43 0.05 OUTLIER Glycine 0 CA--C 1.535 1.331 0 N-CA-C 118.124 2.01 . . . . 0.0 118.124 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -74.6 130.4 39.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.632 2.216 . . . . 0.0 111.557 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -167.53 -26.01 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.069 1.347 . . . . 0.0 113.916 -169.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.87 -18.24 21.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.805 1.642 . . . . 0.0 114.946 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 58.9 tpp -42.83 -42.86 3.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.302 2.241 . . . . 0.0 113.143 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -50.02 -36.36 28.4 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.578 1.551 . . . . 0.0 113.87 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.95 -41.84 58.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.011 0.924 . . . . 0.0 112.029 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 88.7 m -66.75 -44.5 81.33 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.045 0.938 . . . . 0.0 110.735 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.69 -50.18 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.836 0.855 . . . . 0.0 111.056 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -53.05 -43.44 66.66 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.719 0.69 . . . . 0.0 112.3 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -25.61 68.39 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -89.12 -34.33 16.76 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.486 -0.759 . . . . 0.0 112.49 170.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -86.38 -21.74 27.0 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -170.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 12.4 p -50.98 -35.52 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 125.389 1.475 . . . . 0.0 112.987 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.5 -24.3 67.4 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.016 1.727 . . . . 0.0 113.119 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 13.1 t -81.02 122.68 27.6 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.304 -0.872 . . . . 0.0 111.303 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 . . . . . 0 C--O 1.251 1.137 0 C-N-CA 126.385 1.874 . . . . 0.0 111.558 -169.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.357 0.122 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.69 143.98 49.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.265 1.426 . . . . 0.0 111.665 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -131.6 3.02 5.37 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 116.357 1.303 . . . . 0.0 116.357 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.57 -40.61 83.61 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.332 1.566 . . . . 0.0 113.134 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.59 -23.98 44.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.353 1.461 . . . . 0.0 113.429 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -74.23 -17.56 60.87 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 119.632 1.106 . . . . 0.0 113.941 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.07 -39.37 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.229 1.412 . . . . 0.0 109.637 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.65 -34.23 77.8 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.048 1.339 . . . . 0.0 111.477 170.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.17 -29.64 63.83 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.501 1.12 . . . . 0.0 112.508 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -63.83 -24.25 67.68 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.732 -1.23 . . . . 0.0 113.121 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 40.1 mm -86.22 -37.61 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.901 1.28 . . . . 0.0 111.247 174.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.35 -44.42 88.78 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.151 -0.968 . . . . 0.0 112.076 169.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -78.74 -1.08 32.88 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.807 1.643 . . . . 0.0 113.787 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.93 -18.76 53.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.939 0.896 . . . . 0.0 112.323 171.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.23 144.43 7.1 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.263 1.411 . . . . 0.0 113.628 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -159.48 154.14 24.38 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.655 1.582 . . . . 0.0 112.527 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.55 -7.3 3.26 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.739 1.616 . . . . 0.0 113.298 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -71.14 -38.39 72.24 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.662 1.119 . . . . 0.0 113.217 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.0 mmt -55.01 -47.08 75.17 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.222 0.919 . . . . 0.0 111.073 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -58.36 -22.99 55.56 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.983 -1.073 . . . . 0.0 113.529 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -99.62 -27.74 13.53 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.044 1.338 . . . . 0.0 113.335 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 35.5 p -87.9 -40.72 13.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.143 1.338 . . . . 0.0 112.733 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 26.5 mm -57.99 -40.91 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.552 1.141 . . . . 0.0 111.819 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -57.57 -50.75 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.383 0.673 . . . . 0.0 111.811 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.64 -49.47 66.1 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.197 0.599 . . . . 0.0 111.762 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -52.65 -42.18 64.46 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.395 1.078 . . . . 0.0 112.505 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -68.92 -38.92 79.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.163 0.438 . . . . 0.0 111.724 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -36.4 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -176.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.08 -37.42 61.57 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.482 1.513 . . . . 0.0 112.401 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 4.6 m -96.87 21.06 10.09 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.544 1.137 . . . . 0.0 112.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 47.8 tpt85 . . . . . 0 C--O 1.254 1.292 0 CA-C-O 116.608 -1.663 . . . . 0.0 114.001 -173.061 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.06 -29.87 60.84 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -55.78 -41.2 89.67 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.54 -35.85 88.45 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.324 2.683 . . . . 0.0 113.817 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.5 tp -75.84 -40.74 54.2 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.841 0.746 . . . . 0.0 110.67 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -57.08 -41.48 78.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.541 1.137 . . . . 0.0 111.925 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -72.04 -20.81 61.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -46.47 14.21 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.192 1.36 . . . . 0.0 112.632 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 pt -66.63 -31.29 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.09 -1.006 . . . . 0.0 111.293 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -27.84 73.04 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.196 0.903 . . . . 0.0 112.663 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -68.17 -52.55 33.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.916 1.286 . . . . 0.0 110.122 174.241 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.61 -38.93 75.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.593 1.957 . . . . 0.0 112.042 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.43 -51.49 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 118.862 0.755 . . . . 0.0 110.787 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -31.92 77.25 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.993 0.806 . . . . 0.0 113.886 -173.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 11' ' ' LEU . 1.3 mp -69.42 -38.66 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 118.022 -0.989 . . . . 0.0 111.492 173.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -79.97 -52.52 7.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.023 1.283 . . . . 0.0 112.36 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -69.41 -23.19 63.68 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -58.33 -44.48 88.68 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.299 -0.876 . . . . 0.0 112.039 170.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -81.96 -26.98 33.5 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -67.87 -41.5 82.72 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.612 -1.305 . . . . 0.0 110.802 170.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.49 -26.79 71.99 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.997 0.808 . . . . 0.0 113.323 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -67.73 -27.3 66.68 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.591 1.196 . . . . 0.0 112.691 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -87.84 -19.06 27.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.517 1.127 . . . . 0.0 112.815 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.56 16.39 60.28 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.256 1.408 . . . . 0.0 113.254 -173.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.3 176.65 5.45 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.668 1.587 . . . . 0.0 111.814 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -92.28 -94.65 0.14 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.284 1.434 . . . . 0.0 112.274 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -113.0 20.28 16.5 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.157 1.383 . . . . 0.0 114.136 -169.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -130.24 151.36 50.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.551 1.941 . . . . 0.0 110.593 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -112.35 148.2 34.76 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.395 1.878 . . . . 0.0 108.997 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -78.33 153.59 31.58 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.049 -1.032 . . . . 0.0 108.726 168.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -53.92 -37.06 63.41 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.324 -1.485 . . . . 0.0 113.227 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -31.62 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.222 -0.924 . . . . 0.0 113.352 173.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -76.44 -30.46 57.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.594 0.758 . . . . 0.0 111.898 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.37 -44.71 96.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -60.75 -39.93 90.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.906 -1.121 . . . . 0.0 112.37 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.54 -47.8 84.13 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.526 -0.75 . . . . 0.0 111.546 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.12 -47.41 71.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.527 1.058 . . . . 0.0 111.198 174.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.98 -52.97 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.02 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.62 -23.98 58.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.099 1.318 . . . . 0.0 113.234 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.5 -41.13 15.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.575 1.08 . . . . 0.0 112.961 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.83 -52.72 5.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.129 0.877 . . . . 0.0 111.707 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.34 -48.69 8.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.246 0.618 . . . . 0.0 110.366 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m 67.28 87.69 0.12 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.844 2.458 . . . . 0.0 111.857 169.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 pp -94.48 -8.86 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.58 -153.44 42.52 Favored Glycine 0 C--N 1.34 0.771 0 C-N-CA 125.492 1.52 . . . . 0.0 113.731 169.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -84.84 16.86 3.08 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -57.26 152.49 13.84 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.461 -0.774 . . . . 0.0 111.933 169.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.94 -20.18 56.03 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.247 1.019 . . . . 0.0 112.488 172.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -59.64 -13.47 9.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.389 1.475 . . . . 0.0 114.059 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.06 -29.77 67.56 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.965 1.711 . . . . 0.0 112.243 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.6 -25.85 66.81 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.499 1.12 . . . . 0.0 113.219 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -81.65 -35.97 29.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 110.396 171.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.8 mm -62.14 -41.95 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.062 -0.971 . . . . 0.0 111.797 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.62 -26.42 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.382 1.446 . . . . 0.0 112.848 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -75.82 -37.49 59.04 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.514 1.052 . . . . 0.0 112.125 170.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.33 -38.01 89.47 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.217 -0.927 . . . . 0.0 111.732 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttp -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.602 1.161 . . . . 0.0 110.713 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.16 -39.61 93.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.778 0.831 . . . . 0.0 112.767 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -69.2 -23.91 63.97 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.22 -44.66 19.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.246 1.418 . . . . 0.0 111.716 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.25 -35.51 73.85 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.056 1.742 . . . . 0.0 114.084 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -71.77 -6.04 38.56 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -74.21 -15.11 61.01 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.367 1.067 . . . . 0.0 112.937 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -128.09 -95.25 0.42 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.16 1.784 . . . . 0.0 111.368 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -168.86 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.832 1.653 . . . . 0.0 113.178 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.6 16.54 1.13 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.896 1.278 . . . . 0.0 111.83 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -143.59 159.0 43.24 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.185 1.794 . . . . 0.0 111.193 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.11 114.05 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 108.737 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -83.76 151.03 25.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.82 1.248 . . . . 0.0 112.31 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.98 -45.13 79.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -73.12 -34.89 66.4 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.289 -0.882 . . . . 0.0 111.286 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.24 -37.83 78.17 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.826 0.85 . . . . 0.0 111.413 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.21 -47.92 83.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.531 1.532 . . . . 0.0 111.169 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.2 mt -67.98 -37.37 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.181 -0.949 . . . . 0.0 112.141 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 m -59.05 -44.26 91.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.177 0.899 . . . . 0.0 111.084 172.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.68 -37.8 87.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.821 0.848 . . . . 0.0 112.559 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.06 -29.72 70.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.819 1.19 . . . . 0.0 111.949 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.68 93.91 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.148 0.88 . . . . 0.0 112.384 169.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.41 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.071 0.935 . . . . 0.0 111.86 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 tp -51.78 -46.96 64.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.969 1.707 . . . . 0.0 110.608 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.96 79.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.05 1.34 . . . . 0.0 112.797 177.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -73.99 -23.06 59.4 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.298 1.408 . . . . 0.0 114.622 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.25 -30.57 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.516 0.726 . . . . 0.0 110.508 170.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -75.88 46.09 0.37 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 111.131 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.82 -29.17 4.29 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 118.42 2.748 . . . . 0.0 118.42 -168.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.15 -35.02 72.77 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.621 1.1 . . . . 0.0 112.082 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.89 89.01 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.207 1.403 . . . . 0.0 112.682 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.65 -41.93 52.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.974 1.31 . . . . 0.0 110.91 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.49 -37.0 86.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.523 1.129 . . . . 0.0 112.927 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 C-N-CA 125.942 1.734 . . . . 0.0 113.149 176.422 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.59 57.25 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -49.3 -32.53 4.8 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -172.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -69.26 -38.46 8.85 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.05 2.5 . . . . 0.0 113.943 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 tp -81.48 -37.07 28.53 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.736 1.153 . . . . 0.0 111.56 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.85 -40.79 76.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.972 1.709 . . . . 0.0 112.29 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.04 -35.87 81.7 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 172.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.48 64.31 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.633 1.106 . . . . 0.0 112.853 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 pt -68.35 -24.17 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.975 -0.453 . . . . 0.0 111.589 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.46 -39.22 61.6 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.596 1.094 . . . . 0.0 113.177 170.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -51.84 65.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.05 1.34 . . . . 0.0 111.187 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 mt -53.31 -43.79 67.85 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.021 1.728 . . . . 0.0 112.761 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.82 -45.28 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.954 0.901 . . . . 0.0 111.019 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.54 -27.78 73.06 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 124.85 1.214 . . . . 0.0 113.847 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.2 mt -75.3 -49.49 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 118.597 1.199 . . . . 0.0 111.23 170.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -64.59 -52.61 56.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.304 0.957 . . . . 0.0 112.204 -174.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -75.27 -11.98 60.18 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -172.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.61 -42.51 88.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.575 0.75 . . . . 0.0 111.019 169.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -81.53 -28.8 33.79 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.766 1.227 . . . . 0.0 113.26 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -66.48 -44.75 81.8 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.977 -1.077 . . . . 0.0 111.237 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 -3.93 38.16 Favored Glycine 0 N--CA 1.473 1.146 0 C-N-CA 125.46 1.505 . . . . 0.0 114.852 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.19 -30.55 70.48 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.442 1.097 . . . . 0.0 111.787 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.09 -4.08 3.94 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.7 23.56 27.97 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.76 1.172 . . . . 0.0 113.717 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -69.76 168.46 14.98 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.21 1.404 . . . . 0.0 111.987 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -101.69 -141.16 0.35 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.431 1.092 . . . . 0.0 112.727 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -78.43 14.48 1.23 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.892 1.677 . . . . 0.0 115.135 -170.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -128.22 149.76 50.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.08 2.152 . . . . 0.0 110.948 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -120.43 137.53 54.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.822 1.249 . . . . 0.0 110.266 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.2 p -78.09 155.33 30.62 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.513 -0.742 . . . . 0.0 110.172 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -57.59 -33.81 68.58 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.635 -1.29 . . . . 0.0 114.185 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.93 -28.66 39.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.9 -37.21 70.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 110.667 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.74 -43.83 98.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.656 1.182 . . . . 0.0 109.684 169.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -57.77 -44.73 86.39 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.811 -1.181 . . . . 0.0 111.807 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.13 -46.96 87.0 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.834 -1.079 . . . . 0.0 111.398 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.34 -49.12 73.04 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.872 1.214 . . . . 0.0 111.247 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -66.77 -44.09 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 119.035 0.834 . . . . 0.0 111.443 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -68.03 -37.82 81.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.873 1.215 . . . . 0.0 113.061 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -86.06 -41.28 14.93 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -87.24 -50.63 6.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.265 0.939 . . . . 0.0 111.571 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 mt -95.94 66.96 2.65 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.993 0.901 . . . . 0.0 108.799 -172.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -60.36 63.27 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 129.745 3.218 . . . . 0.0 115.784 -169.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.42 0.26 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.692 1.597 . . . . 0.0 113.93 170.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.51 26.39 0.89 Allowed Glycine 0 N--CA 1.475 1.241 0 C-N-CA 126.647 2.07 . . . . 0.0 116.343 -170.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.5 p -81.51 5.25 18.43 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.305 1.442 . . . . 0.0 113.465 170.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -158.77 163.77 36.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.941 1.697 . . . . 0.0 111.913 -170.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.13 111.36 11.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.45 0.7 . . . . 0.0 109.28 174.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -149.91 -0.54 0.45 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.01 -30.1 71.2 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.639 -1.288 . . . . 0.0 113.134 -170.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.2 -32.14 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.473 1.109 . . . . 0.0 112.739 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -81.03 -31.81 34.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.3 0.64 . . . . 0.0 111.124 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.7 mm -65.08 -42.37 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.911 1.232 . . . . 0.0 111.224 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.23 -22.34 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.25 1.386 . . . . 0.0 112.911 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -77.16 -37.57 53.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.102 0.865 . . . . 0.0 111.377 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.68 -33.47 75.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.724 0.81 . . . . 0.0 111.371 172.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 65.6 mtp -60.14 -40.29 89.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.931 0.787 . . . . 0.0 111.381 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.67 -30.6 71.32 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.209 1.004 . . . . 0.0 112.62 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -77.3 -23.79 51.03 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.34 -41.88 23.96 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.155 1.382 . . . . 0.0 111.707 170.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.91 -13.39 56.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.691 1.996 . . . . 0.0 112.942 173.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -53.54 -31.72 47.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.563 1.945 . . . . 0.0 112.809 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -79.64 -56.63 4.16 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.445 1.098 . . . . 0.0 111.905 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -143.31 124.9 14.87 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.907 1.683 . . . . 0.0 110.656 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -81.3 -37.68 28.0 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -169.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.47 -38.68 62.86 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.132 0.573 . . . . 0.0 111.947 -174.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.08 139.36 13.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.097 1.359 . . . . 0.0 110.165 172.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.6 t -93.85 121.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.871 1.269 . . . . 0.0 108.224 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -80.53 148.01 30.58 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.567 0.747 . . . . 0.0 112.033 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.43 -40.6 62.38 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -172.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.67 -46.56 89.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.518 0.599 . . . . 0.0 110.689 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -29.52 62.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.66 0.784 . . . . 0.0 111.926 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.35 -38.33 86.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.95 0.9 . . . . 0.0 109.797 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 51.5 mt -72.57 -35.23 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 118.033 -0.984 . . . . 0.0 112.491 172.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -56.87 -43.75 81.54 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.782 1.628 . . . . 0.0 111.156 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -64.6 -39.45 93.74 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 112.245 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.84 -24.11 66.82 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.039 -1.038 . . . . 0.0 112.405 172.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.25 -39.26 82.32 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.667 1.127 . . . . 0.0 112.091 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.088 0.944 . . . . 0.0 111.919 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.53 -43.01 93.59 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.013 0.925 . . . . 0.0 110.695 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.21 77.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.46 1.104 . . . . 0.0 113.358 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 99.0 mtp -68.18 -32.59 72.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.356 0.98 . . . . 0.0 112.896 170.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.34 -33.04 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.775 0.716 . . . . 0.0 111.296 170.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -71.73 43.21 0.09 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.535 1.534 . . . . 0.0 112.891 169.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -52.32 -27.53 15.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.446 3.099 . . . . 0.0 116.309 -170.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -62.82 -36.92 84.77 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.961 1.255 . . . . 0.0 112.244 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.06 -15.32 62.98 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.28 -0.887 . . . . 0.0 113.0 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.09 8.24 38.76 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.954 2.102 . . . . 0.0 111.807 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -114.93 -39.54 3.67 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.831 1.652 . . . . 0.0 111.136 171.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.256 0 C-N-CA 126.108 1.813 . . . . 0.0 113.9 173.837 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.911 0.386 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -71.45 157.6 37.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.803 1.241 . . . . 0.0 112.172 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -80.17 43.5 2.69 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 125.545 1.545 . . . . 0.0 113.974 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 36.1 tp -46.6 -63.75 0.93 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.344 2.257 . . . . 0.0 112.083 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -50.66 -31.75 17.14 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.986 1.714 . . . . 0.0 114.342 -177.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.0 -20.72 62.38 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 -37.63 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.812 1.245 . . . . 0.0 108.558 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.79 -26.94 64.51 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.229 1.811 . . . . 0.0 112.141 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -55.45 -29.15 58.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.436 1.095 . . . . 0.0 112.869 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.52 -17.4 64.65 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.228 -0.92 . . . . 0.0 113.207 176.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 20.8 mt -96.21 -42.55 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.359 1.464 . . . . 0.0 110.85 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -46.18 -45.32 16.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.039 1.336 . . . . 0.0 113.611 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.27 -12.2 54.96 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -111.16 -1.81 16.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.001 2.12 . . . . 0.0 114.337 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.1 134.65 34.26 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.251 0.929 . . . . 0.0 112.636 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.16 152.63 38.44 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.11 -22.65 61.17 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.295 1.838 . . . . 0.0 114.152 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.08 -19.89 55.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.513 1.051 . . . . 0.0 113.429 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 37.1 mtt -55.83 -47.83 76.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.96 1.254 . . . . 0.0 111.733 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -58.81 -38.65 79.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.808 0.843 . . . . 0.0 111.685 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -72.66 -33.93 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.191 0.996 . . . . 0.0 111.55 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 89.9 m -70.17 -48.5 57.01 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.401 1.88 . . . . 0.0 111.203 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.63 -44.99 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.198 0.599 . . . . 0.0 110.453 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.24 -54.42 47.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.183 0.593 . . . . 0.0 112.518 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -68.97 -18.13 64.03 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.43 29.18 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.249 0.932 . . . . 0.0 112.021 169.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -72.84 -36.63 67.5 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.513 1.925 . . . . 0.0 112.701 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 2.6 p -54.08 -31.51 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.622 1.169 . . . . 0.0 112.95 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.67 -37.71 85.09 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.629 1.572 . . . . 0.0 112.875 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 54.7 m -104.58 0.07 28.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.092 0.957 . . . . 0.0 113.425 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.934 1.694 . . . . 0.0 113.436 -177.276 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.752 0.311 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -77.26 164.59 25.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.926 1.29 . . . . 0.0 112.419 173.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -174.67 -169.02 36.17 Favored Glycine 0 N--CA 1.472 1.085 0 C-N-CA 125.04 1.305 . . . . 0.0 113.468 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -38.36 67.58 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.019 0.927 . . . . 0.0 113.315 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -56.81 -25.26 55.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.815 1.246 . . . . 0.0 113.802 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -72.38 -18.08 61.77 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 173.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.79 -37.96 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.037 1.335 . . . . 0.0 108.798 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.73 -33.71 76.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.012 1.325 . . . . 0.0 111.202 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -51.99 -36.26 49.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.119 1.367 . . . . 0.0 112.305 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 198' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' D' ' 198' ' ' LYS . 11.0 mmpt? -69.0 -12.83 62.04 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.114 -1.616 . . . . 0.0 114.039 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.1 mt -95.29 -35.73 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.183 1.393 . . . . 0.0 110.219 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.47 -40.33 86.59 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.292 1.037 . . . . 0.0 111.265 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -85.08 -0.48 54.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.683 1.593 . . . . 0.0 113.641 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -96.66 -47.23 5.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.506 1.523 . . . . 0.0 108.969 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 76.74 168.28 28.18 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 118.654 2.222 . . . . 0.0 118.654 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -161.8 159.05 26.55 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.604 3.162 . . . . 0.0 108.231 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -112.57 -16.32 12.87 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.087 2.254 . . . . 0.0 117.087 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.77 -32.52 73.17 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.377 1.444 . . . . 0.0 113.162 -177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 11.0 ttm -50.1 -48.72 53.18 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.972 1.309 . . . . 0.0 109.929 168.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -78.77 -26.13 44.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.619 . . . . 0.0 111.417 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -75.12 -32.47 61.38 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.226 0.921 . . . . 0.0 111.592 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 60.4 m -69.86 -49.02 56.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.915 1.286 . . . . 0.0 110.92 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.1 -48.21 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.705 0.802 . . . . 0.0 110.767 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -53.09 -62.24 1.78 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.98 0.912 . . . . 0.0 111.817 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.76 -30.02 71.13 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.65 -1.281 . . . . 0.0 113.619 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.24 -26.94 47.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -100.77 -21.98 15.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.246 1.018 . . . . 0.0 113.142 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 6.4 t -63.95 -24.16 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.295 1.038 . . . . 0.0 112.749 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -61.5 -22.72 65.36 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.188 0.995 . . . . 0.0 113.638 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 37.1 m -91.07 -4.68 56.11 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.663 1.185 . . . . 0.0 113.815 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.34 1.456 . . . . 0.0 113.284 -169.644 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.721 -0.103 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.0 -49.55 0.05 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.745 1.618 . . . . 0.0 111.48 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 p -59.54 -29.5 5.96 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.61 -45.94 15.95 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.56 2.174 . . . . 0.0 113.375 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.87 -38.6 57.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.889 0.768 . . . . 0.0 111.475 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.19 -46.82 82.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.895 1.278 . . . . 0.0 111.936 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -70.39 -20.52 62.93 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.14 -47.78 13.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.359 0.982 . . . . 0.0 112.666 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -62.92 -33.94 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.235 -0.916 . . . . 0.0 110.943 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.58 75.37 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.816 -0.991 . . . . 0.0 113.434 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.82 65.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.995 1.397 . . . . 0.0 110.036 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.22 -37.79 84.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.048 0.939 . . . . 0.0 112.14 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.99 -48.28 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 119.699 1.136 . . . . 0.0 110.823 173.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.34 86.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.87 0.748 . . . . 0.0 112.946 -175.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 mt -64.45 -37.73 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.131 0.965 . . . . 0.0 112.115 171.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -77.99 -59.65 2.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.897 0.771 . . . . 0.0 112.629 -175.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -68.13 -22.5 64.87 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HE3' ' CE2' ' A' ' 19' ' ' TYR . 60.8 pttt -62.37 -30.77 71.42 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.268 -0.895 . . . . 0.0 112.641 173.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CE2' ' HE3' ' A' ' 18' ' ' LYS . 84.7 m-85 -82.01 -40.81 21.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.236 -0.887 . . . . 0.0 112.373 169.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -62.53 -13.31 29.31 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.12 -0.19 61.84 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.434 1.016 . . . . 0.0 114.817 172.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -77.74 -42.69 33.31 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.982 1.391 . . . . 0.0 112.44 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -128.11 -31.99 2.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.784 1.634 . . . . 0.0 111.248 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.52 -171.78 45.27 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.189 1.852 . . . . 0.0 112.904 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -140.78 3.2 1.84 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.403 1.481 . . . . 0.0 113.842 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -133.95 -172.64 3.04 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.779 1.232 . . . . 0.0 113.157 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -75.34 37.47 0.13 Allowed 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 126.567 1.947 . . . . 0.0 114.107 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -141.81 131.26 23.78 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.639 1.975 . . . . 0.0 109.013 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.88 137.4 32.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.164 1.386 . . . . 0.0 111.333 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -78.88 154.42 29.76 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.515 -0.74 . . . . 0.0 109.14 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -56.4 -38.16 71.14 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 119.711 -1.868 . . . . 0.0 114.292 -173.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -68.23 -37.02 80.39 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.652 1.181 . . . . 0.0 112.53 173.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -67.49 -40.34 85.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 110.558 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.0 tm? -63.51 -44.5 94.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.453 1.501 . . . . 0.0 110.717 169.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.0 -39.93 87.47 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.607 -1.308 . . . . 0.0 112.031 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.29 -45.18 94.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.06 172.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -51.49 -53.25 39.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.378 0.99 . . . . 0.0 111.053 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.65 -47.46 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.903 0.774 . . . . 0.0 111.558 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.88 -32.65 74.06 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -83.16 -42.99 16.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -85.99 -43.73 12.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.962 0.801 . . . . 0.0 112.069 -172.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -107.06 63.12 0.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.104 1.361 . . . . 0.0 109.099 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.1 p -49.91 138.72 14.74 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.712 2.005 . . . . 0.0 114.045 -169.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -124.87 124.29 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.699 1.6 . . . . 0.0 108.989 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.41 -34.13 8.2 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.135 0.874 . . . . 0.0 112.985 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -81.71 64.97 6.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.275 1.43 . . . . 0.0 110.192 173.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -59.9 -9.24 2.77 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -169.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.98 -23.72 65.58 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.675 1.19 . . . . 0.0 111.482 169.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -67.93 -10.62 54.79 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.898 1.279 . . . . 0.0 113.142 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.86 -25.36 63.23 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.015 -1.678 . . . . 0.0 113.366 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.84 71.1 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 113.188 169.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.59 -33.5 31.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.834 0.854 . . . . 0.0 110.681 170.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.03 -39.33 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.023 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.05 -26.11 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-N 120.395 1.452 . . . . 0.0 112.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.16 -35.8 61.57 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.241 0.928 . . . . 0.0 112.554 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -68.02 -36.04 79.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.433 -0.792 . . . . 0.0 112.155 170.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.4 ttp -60.91 -43.27 98.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.617 1.167 . . . . 0.0 111.596 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.01 -43.79 86.89 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.208 1.003 . . . . 0.0 112.262 169.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -36.4 84.28 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.932 0.787 . . . . 0.0 112.915 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.11 -40.42 74.9 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.073 1.349 . . . . 0.0 111.803 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.65 -19.4 65.19 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.277 1.831 . . . . 0.0 114.319 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -57.33 -18.99 19.69 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -71.21 -17.5 62.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -150.9 -116.79 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.545 1.138 . . . . 0.0 111.722 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -127.41 -47.64 1.44 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.79 1.632 . . . . 0.0 113.212 -169.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -141.27 4.59 1.82 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.269 1.828 . . . . 0.0 112.019 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.97 167.2 25.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.948 1.699 . . . . 0.0 112.815 -169.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 t -133.12 115.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.511 1.924 . . . . 0.0 109.875 -175.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.2 148.6 32.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.69 -0.631 . . . . 0.0 111.781 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -48.19 -50.68 28.26 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -70.92 -27.35 63.71 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.947 -1.096 . . . . 0.0 112.964 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.76 -34.5 58.04 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.602 0.637 . . . . 0.0 111.687 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -60.89 -42.5 98.12 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.343 -0.848 . . . . 0.0 110.535 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -65.64 -37.91 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.369 -0.832 . . . . 0.0 111.847 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -62.1 -37.52 85.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.497 1.044 . . . . 0.0 111.671 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -65.11 -39.75 93.55 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.162 0.892 . . . . 0.0 112.061 171.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.25 -24.52 67.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.325 0.966 . . . . 0.0 112.281 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.34 -38.28 58.57 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.506 1.051 . . . . 0.0 112.929 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.32 81.33 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.047 0.923 . . . . 0.0 112.255 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.0 -42.85 89.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.123 0.969 . . . . 0.0 111.479 172.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.24 67.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.794 0.838 . . . . 0.0 112.629 172.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.66 -31.24 36.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.57 1.148 . . . . 0.0 113.384 172.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -65.16 -32.79 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.719 1.145 . . . . 0.0 111.45 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.63 52.38 0.39 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.14 1.376 . . . . 0.0 110.889 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -55.7 -12.81 1.38 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 117.142 -169.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.88 -26.24 65.91 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.207 -1.558 . . . . 0.0 111.625 169.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.93 69.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.077 1.351 . . . . 0.0 113.371 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.16 -9.22 59.83 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.575 1.55 . . . . 0.0 112.291 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -125.04 10.59 8.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 113.362 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.898 1.713 . . . . 0.0 114.46 -179.804 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.9 mtp . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.73 -67.22 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.783 2.033 . . . . 0.0 114.426 -171.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.8 m -59.11 -46.13 99.37 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-O 117.352 -1.308 . . . . 0.0 114.212 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -53.27 -40.57 77.23 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.849 3.033 . . . . 0.0 114.696 170.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.45 -43.7 55.02 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.457 1.026 . . . . 0.0 111.656 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.04 -38.03 87.19 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.303 1.441 . . . . 0.0 112.03 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -72.39 -28.55 63.07 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.55 -43.99 30.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.728 1.149 . . . . 0.0 112.861 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.9 pt -60.89 -35.12 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.538 1.063 . . . . 0.0 110.129 169.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.4 -17.55 70.64 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.731 1.158 . . . . 0.0 114.214 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -53.47 10.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.087 1.444 . . . . 0.0 109.882 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.69 -42.31 75.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.827 0.851 . . . . 0.0 110.943 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.444 HD12 ' CZ ' ' B' ' 70' ' ' PHE . 5.6 mm -76.05 -35.68 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 118.641 0.655 . . . . 0.0 112.598 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.23 80.25 Favored Glycine 0 N--CA 1.469 0.893 0 C-N-CA 124.442 1.02 . . . . 0.0 112.226 175.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -73.65 -60.76 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.077 0.951 . . . . 0.0 109.248 169.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -53.6 -51.02 64.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.202 0.91 . . . . 0.0 113.14 -172.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -70.91 -19.67 62.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -169.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.21 -45.6 72.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.102 0.961 . . . . 0.0 111.556 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -80.49 -33.24 36.71 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.2 p -71.4 -43.18 67.28 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.419 1.009 . . . . 0.0 111.481 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.69 -20.55 64.11 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.73 1.157 . . . . 0.0 113.889 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.59 -31.61 69.62 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 118.571 1.186 . . . . 0.0 111.993 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -94.64 3.98 54.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 113.16 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.96 16.02 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 125.185 1.374 . . . . 0.0 113.7 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.86 -15.43 60.72 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -170.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -76.18 122.35 24.21 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.425 -0.797 . . . . 0.0 111.476 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -83.12 51.84 2.05 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.582 1.553 . . . . 0.0 113.214 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.3 p -133.86 163.64 29.06 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.946 1.698 . . . . 0.0 111.464 -176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.0 mt -121.07 126.87 50.93 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.128 1.371 . . . . 0.0 109.491 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -78.36 156.85 29.31 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 169.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -60.62 -26.49 67.06 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.767 -1.208 . . . . 0.0 114.174 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -78.52 -35.69 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.949 -1.094 . . . . 0.0 113.588 170.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -67.68 -37.3 82.13 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.703 0.683 . . . . 0.0 111.292 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.06 -43.5 86.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.175 1.39 . . . . 0.0 111.276 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -62.77 -35.69 80.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.692 -1.255 . . . . 0.0 111.803 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -46.37 90.14 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.051 1.34 . . . . 0.0 111.754 172.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -57.6 -53.02 62.95 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.769 1.228 . . . . 0.0 111.581 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.9 mt -61.25 -47.43 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.339 0.972 . . . . 0.0 111.585 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.64 -24.38 67.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.862 1.21 . . . . 0.0 112.995 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -86.56 -56.49 3.4 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -88.28 -15.84 34.71 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -169.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.5 mt -138.36 56.75 1.72 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.429 1.892 . . . . 0.0 109.785 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t -58.9 152.0 20.43 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 122.185 0.993 . . . . 0.0 111.73 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 pt -115.11 148.93 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.696 1.998 . . . . 0.0 112.23 -169.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.59 -10.16 84.71 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.342 0.973 . . . . 0.0 115.155 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.9 t -170.17 148.99 3.42 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.538 1.935 . . . . 0.0 109.965 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -64.66 -8.83 15.95 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.753 -1.217 . . . . 0.0 114.229 173.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.53 -22.38 66.95 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.338 0.972 . . . . 0.0 111.572 168.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -78.56 -20.44 50.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.546 1.138 . . . . 0.0 112.706 172.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.03 -35.53 78.85 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.458 -1.401 . . . . 0.0 111.525 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.72 -28.07 68.38 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.019 1.328 . . . . 0.0 113.013 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.89 -39.18 24.23 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.484 1.114 . . . . 0.0 111.016 171.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.22 -42.32 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.669 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.83 -29.15 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 120.286 1.403 . . . . 0.0 113.034 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -74.3 -35.95 63.72 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.058 0.845 . . . . 0.0 112.64 171.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.12 -37.08 83.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.331 -0.856 . . . . 0.0 111.811 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -60.4 -39.11 86.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.978 1.311 . . . . 0.0 111.467 170.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -65.15 -38.07 89.42 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.066 0.946 . . . . 0.0 113.096 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.19 -20.8 62.23 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.794 1.179 . . . . 0.0 113.811 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.5 -44.3 19.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.46 1.104 . . . . 0.0 110.663 169.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -57.69 -38.91 76.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.525 1.13 . . . . 0.0 112.576 171.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -56.31 -23.2 35.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.158 2.183 . . . . 0.0 113.689 171.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -78.43 -5.1 51.47 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.688 1.195 . . . . 0.0 113.176 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -153.26 -135.35 0.06 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 125.95 1.7 . . . . 0.0 111.189 172.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -118.49 -23.59 7.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.047 1.739 . . . . 0.0 114.71 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -172.12 -32.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.905 1.682 . . . . 0.0 112.207 -173.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -140.39 140.14 35.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.421 1.488 . . . . 0.0 110.745 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.1 m -95.44 134.84 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.25 1.02 . . . . 0.0 110.059 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -80.58 163.83 23.38 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.356 0.598 . . . . 0.0 112.126 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.444 ' CZ ' HD12 ' B' ' 13' ' ' ILE . 23.7 t80 -42.18 -46.8 4.51 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.877 2.071 . . . . 0.0 114.101 172.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.8 -45.33 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.887 0.767 . . . . 0.0 111.374 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.48 -26.94 61.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.577 0.751 . . . . 0.0 112.496 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.58 -42.29 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.816 -0.552 . . . . 0.0 111.273 169.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.29 -42.78 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.737 -0.602 . . . . 0.0 110.666 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.5 m -57.75 -45.48 85.84 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.639 0.776 . . . . 0.0 111.56 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -66.58 -38.41 86.97 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.972 0.805 . . . . 0.0 112.022 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.58 -28.86 68.85 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.917 1.235 . . . . 0.0 112.372 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.18 -40.74 96.98 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.93 0.776 . . . . 0.0 112.092 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.07 84.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.373 0.669 . . . . 0.0 111.957 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.54 -44.74 89.71 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.049 -1.032 . . . . 0.0 111.151 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.889 0.876 . . . . 0.0 112.571 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 46.1 tpp -68.77 -35.83 77.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.146 0.978 . . . . 0.0 111.127 169.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.63 -27.36 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.346 -0.846 . . . . 0.0 111.415 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -74.62 43.75 0.19 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 126.144 1.777 . . . . 0.0 111.33 170.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -56.19 -23.82 37.76 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.27 -35.63 80.9 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.183 1.81 . . . . 0.0 111.789 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.47 -20.2 63.74 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -91.77 11.92 23.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.955 2.102 . . . . 0.0 112.762 170.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -121.83 -36.88 2.94 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 111.761 170.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.301 0 C-N-CA 125.966 1.746 . . . . 0.0 112.856 171.835 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.23 157.43 31.46 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.286 1.434 . . . . 0.0 112.743 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 152.97 -37.49 0.76 Allowed Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.185 1.374 . . . . 0.0 114.157 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.74 -63.33 1.33 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 111.123 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -47.48 -42.38 22.69 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.45 1.5 . . . . 0.0 112.555 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.02 -13.22 45.16 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.28 -29.1 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.984 1.265 . . . . 0.0 109.788 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -80.65 -30.1 36.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.864 2.066 . . . . 0.0 111.488 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -56.36 -32.32 64.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.632 1.173 . . . . 0.0 111.994 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -61.52 -30.27 70.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 13.4 mt -81.24 -40.67 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.025 0.829 . . . . 0.0 111.108 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.3 -40.0 73.63 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.163 0.892 . . . . 0.0 112.739 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.37 -4.24 38.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.661 1.584 . . . . 0.0 114.292 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -109.34 7.18 25.0 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.819 2.048 . . . . 0.0 111.507 170.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.44 169.06 54.78 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.366 1.936 . . . . 0.0 114.085 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.48 158.71 15.33 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.63 -10.37 55.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.162 1.785 . . . . 0.0 113.17 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -62.99 -23.19 67.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.928 1.291 . . . . 0.0 113.814 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 7.8 mmt -53.17 -47.42 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.558 1.072 . . . . 0.0 112.965 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -65.48 -23.38 66.89 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.434 -0.791 . . . . 0.0 113.037 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.97 -51.68 7.82 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.011 1.724 . . . . 0.0 109.562 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 90.4 m -61.7 -51.82 66.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.974 2.11 . . . . 0.0 111.721 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.48 -42.9 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.687 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.96 -54.89 42.08 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.356 0.98 . . . . 0.0 112.104 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.83 -40.76 97.36 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.223 -0.923 . . . . 0.0 112.122 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.61 76.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.931 0.892 . . . . 0.0 113.036 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -76.31 -35.16 58.96 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.151 0.887 . . . . 0.0 112.691 173.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 35.7 t -77.33 -31.8 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.211 1.005 . . . . 0.0 113.294 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -75.33 -4.08 37.2 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -169.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 2.2 m -59.36 -46.37 88.83 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -169.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.808 2.043 . . . . 0.0 113.569 179.208 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 57.4 p . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -161.85 150.43 15.37 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.641 1.576 . . . . 0.0 109.742 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -78.71 49.4 3.4 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.664 1.602 . . . . 0.0 112.645 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -52.21 -44.27 64.68 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.069 1.748 . . . . 0.0 113.769 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -26.84 41.29 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.615 1.166 . . . . 0.0 113.912 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.91 -16.42 58.23 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.307 0.958 . . . . 0.0 113.447 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.87 -38.92 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.28 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.31 -34.02 77.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.506 1.522 . . . . 0.0 112.025 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.76 -29.81 41.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 113.199 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -67.18 -21.49 65.78 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.531 -0.731 . . . . 0.0 112.935 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.3 mt -91.65 -37.5 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.136 1.374 . . . . 0.0 110.537 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.71 -38.61 69.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.747 -1.22 . . . . 0.0 112.985 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -6.72 35.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -101.02 -44.58 5.67 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.425 1.49 . . . . 0.0 109.146 169.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.69 165.37 40.45 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.038 1.78 . . . . 0.0 116.679 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -75.04 169.59 17.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.216 1.806 . . . . 0.0 111.741 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -152.77 -33.38 0.13 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -93.42 -23.62 18.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.175 0.99 . . . . 0.0 112.61 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 19.4 ttt -53.03 -50.24 64.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.394 1.078 . . . . 0.0 111.495 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -61.77 -30.79 71.03 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.399 1.08 . . . . 0.0 113.262 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -70.21 -42.82 71.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.047 0.939 . . . . 0.0 110.378 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 25.6 m -67.38 -45.82 75.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.747 0.819 . . . . 0.0 111.575 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.3 mt -55.85 -46.45 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.37 0.668 . . . . 0.0 111.073 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.41 -59.49 5.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.218 0.607 . . . . 0.0 111.557 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.17 -41.45 98.33 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.744 -1.223 . . . . 0.0 112.555 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.09 71.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -76.06 -41.36 50.85 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.64 0.776 . . . . 0.0 112.851 170.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 42.8 t -70.44 -38.65 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.881 1.273 . . . . 0.0 113.656 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.09 -9.78 56.6 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -169.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 51.5 m -100.37 6.91 44.57 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--O 1.253 1.286 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -176.065 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.98 -50.32 0.7 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.829 3.252 . . . . 0.0 114.048 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -56.51 -39.01 74.63 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -67.14 -41.83 8.9 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.248 1.965 . . . . 0.0 112.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 tp -74.76 -40.31 61.29 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.798 0.726 . . . . 0.0 111.17 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.06 -35.35 80.45 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.454 1.102 . . . . 0.0 112.664 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -73.63 -23.28 59.86 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -47.55 14.57 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.68 -32.75 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 120.996 -1.065 . . . . 0.0 111.142 170.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.81 70.49 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.155 0.883 . . . . 0.0 113.478 171.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -51.99 44.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.295 1.047 . . . . 0.0 110.046 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -59.51 -38.43 80.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.023 0.929 . . . . 0.0 112.212 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.03 -48.51 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.184 0.902 . . . . 0.0 110.744 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -27.92 73.29 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.424 1.011 . . . . 0.0 113.528 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.96 -51.63 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.492 1.117 . . . . 0.0 111.309 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -70.58 -51.18 30.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.668 1.122 . . . . 0.0 113.081 -173.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -68.66 -22.7 64.37 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -42.53 63.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.721 1.209 . . . . 0.0 112.687 169.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.43 -32.35 26.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 p -72.43 -41.99 65.56 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.318 1.417 . . . . 0.0 111.404 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.41 -11.01 64.11 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.416 1.484 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.38 -39.67 95.15 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.658 1.229 . . . . 0.0 111.54 170.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -94.52 -20.22 19.84 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.71 1.204 . . . . 0.0 112.224 170.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.67 20.84 15.76 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.971 1.272 . . . . 0.0 114.199 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -76.09 150.2 37.31 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.403 1.102 . . . . 0.0 112.59 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.73 -43.35 93.67 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.76 20.36 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -169.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.58 150.13 47.77 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.667 -1.271 . . . . 0.0 113.007 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -123.25 134.59 54.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.794 2.038 . . . . 0.0 110.211 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.8 p -79.5 168.65 19.14 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.485 -0.76 . . . . 0.0 112.47 171.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -53.97 -47.06 71.76 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.114 -0.991 . . . . 0.0 112.831 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.81 -35.09 64.84 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.355 -0.84 . . . . 0.0 112.465 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.53 -30.84 69.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 111.752 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.34 -45.1 70.25 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.175 0.99 . . . . 0.0 110.77 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.56 -35.96 75.25 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.188 -0.945 . . . . 0.0 112.101 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.75 -51.26 69.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 117.903 -1.046 . . . . 0.0 111.161 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 tt -49.59 -47.8 49.18 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.322 1.419 . . . . 0.0 111.339 173.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.44 -49.37 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 119.187 0.903 . . . . 0.0 112.184 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -69.89 -27.54 64.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.848 0.749 . . . . 0.0 112.852 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -86.91 -48.13 8.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.976 1.262 . . . . 0.0 113.688 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -87.04 -46.3 9.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.827 0.74 . . . . 0.0 112.259 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -82.78 -26.79 31.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.711 0.687 . . . . 0.0 110.803 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.306 6.0 t 50.97 40.34 25.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 127.769 2.428 . . . . 0.0 113.816 169.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 pp -70.79 -12.22 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.179 1.391 . . . . 0.0 113.899 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.7 149.89 26.15 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.9 1.714 . . . . 0.0 113.654 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.2 p -86.2 30.09 0.71 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.428 1.491 . . . . 0.0 113.57 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -72.27 -172.67 0.95 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.698 1.999 . . . . 0.0 113.037 172.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.65 -26.74 62.08 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 120.953 -1.092 . . . . 0.0 113.535 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.87 -23.08 63.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.043 1.337 . . . . 0.0 113.321 174.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.65 -23.67 66.22 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.869 -1.144 . . . . 0.0 112.998 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -26.52 67.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.485 1.114 . . . . 0.0 112.697 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.85 -35.79 28.96 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.741 0.817 . . . . 0.0 110.366 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -63.62 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 117.897 -1.049 . . . . 0.0 111.967 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -62.62 -34.25 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 120.04 1.291 . . . . 0.0 112.028 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -73.47 -36.57 65.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.179 0.899 . . . . 0.0 112.672 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.29 -39.26 92.38 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.689 1.131 . . . . 0.0 111.991 171.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -62.26 -37.2 84.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.805 172.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.03 -27.3 60.88 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.586 1.154 . . . . 0.0 113.457 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -75.05 -26.96 59.81 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 112.474 170.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.73 -51.55 40.21 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.577 1.151 . . . . 0.0 109.497 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.87 -22.21 35.21 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.002 1.721 . . . . 0.0 113.83 173.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -61.3 -21.46 63.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.557 1.543 . . . . 0.0 113.078 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -84.8 -31.27 23.98 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.532 1.133 . . . . 0.0 112.815 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -161.62 125.78 3.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.741 1.616 . . . . 0.0 111.521 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.5 129.97 41.58 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 114.051 -171.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 78.51 -45.46 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.887 3.275 . . . . 0.0 112.206 171.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -136.47 120.8 18.01 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 109.484 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.0 m -97.65 123.95 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.164 1.385 . . . . 0.0 110.196 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.16 155.41 30.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.298 0.57 . . . . 0.0 110.123 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -50.73 -34.91 28.89 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.48 1.512 . . . . 0.0 114.359 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -62.72 -45.6 91.96 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.084 -1.01 . . . . 0.0 112.163 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.6 -32.13 63.94 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.812 0.845 . . . . 0.0 111.709 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.2 -47.48 85.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.574 0.75 . . . . 0.0 111.166 169.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -66.21 -38.66 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.569 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -57.04 -42.96 81.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.473 1.033 . . . . 0.0 111.556 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.96 -35.27 76.57 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.04 -28.96 69.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.629 1.104 . . . . 0.0 111.656 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.39 81.04 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.213 0.911 . . . . 0.0 111.818 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.29 85.53 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.268 1.034 . . . . 0.0 111.901 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -53.85 -50.46 66.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.732 1.151 . . . . 0.0 110.876 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.67 82.81 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.586 0.755 . . . . 0.0 113.026 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 ttp -74.64 -33.7 62.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.104 1.361 . . . . 0.0 113.25 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -62.93 -39.17 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 110.091 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -74.5 50.39 0.42 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.041 1.737 . . . . 0.0 113.971 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -49.75 -24.71 2.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.092 2.157 . . . . 0.0 115.559 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -54.86 -31.55 59.72 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.755 1.161 . . . . 0.0 112.67 170.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.51 -27.69 58.86 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.092 -1.005 . . . . 0.0 113.167 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -76.09 -34.37 59.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.459 1.104 . . . . 0.0 110.913 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.44 -42.23 65.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.038 0.935 . . . . 0.0 112.434 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 C-N-CA 125.62 1.581 . . . . 0.0 113.315 178.18 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.85 73.11 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -44.9 99.9 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-O 117.532 -1.223 . . . . 0.0 114.19 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.51 -38.21 83.23 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 123.971 3.114 . . . . 0.0 114.652 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 tp -75.37 -40.64 57.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.164 0.893 . . . . 0.0 111.61 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.95 -36.82 82.55 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.414 1.085 . . . . 0.0 112.196 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -72.35 -31.33 65.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.439 170.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.09 -45.75 59.46 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.809 1.186 . . . . 0.0 112.207 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 pt -64.69 -34.72 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.206 -0.933 . . . . 0.0 110.755 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.01 -32.12 79.07 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.711 1.148 . . . . 0.0 112.838 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -49.66 63.78 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.55 1.14 . . . . 0.0 110.902 174.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.42 -40.75 83.32 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.808 0.843 . . . . 0.0 111.502 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.51 -45.88 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.541 0.609 . . . . 0.0 110.887 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.95 67.23 Favored Glycine 0 N--CA 1.47 0.903 0 C-N-CA 124.708 1.147 . . . . 0.0 113.997 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.48 -39.82 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.692 1.246 . . . . 0.0 112.113 171.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -71.34 -59.42 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.976 0.807 . . . . 0.0 112.176 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -72.53 -20.63 61.31 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -51.77 -38.79 56.95 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.221 1.408 . . . . 0.0 112.62 169.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -76.1 -22.13 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -76.26 -36.14 58.61 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.051 -1.031 . . . . 0.0 110.543 168.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.42 -14.34 48.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 126.208 1.861 . . . . 0.0 114.503 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.45 -37.84 79.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.547 1.139 . . . . 0.0 111.236 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -102.68 -18.93 14.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.389 1.476 . . . . 0.0 112.337 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.07 23.69 43.97 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.161 1.362 . . . . 0.0 113.003 -170.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -84.46 172.99 11.22 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.878 1.271 . . . . 0.0 113.245 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.38 -176.37 1.49 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.46 49.82 0.5 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.619 1.968 . . . . 0.0 114.407 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -147.49 139.78 24.48 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.887 1.675 . . . . 0.0 110.537 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.42 144.17 46.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.79 1.236 . . . . 0.0 110.904 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.9 p -77.83 160.75 28.13 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.021 -1.049 . . . . 0.0 110.233 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -59.28 -26.22 64.77 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.698 -1.251 . . . . 0.0 113.782 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -81.09 -37.77 28.4 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.044 -1.035 . . . . 0.0 113.073 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.86 -33.82 76.44 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.665 1.12 . . . . 0.0 110.943 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.68 -39.03 90.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.188 0.995 . . . . 0.0 110.553 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -59.21 -41.55 88.84 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.788 1.177 . . . . 0.0 111.608 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.89 -40.2 94.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.774 0.716 . . . . 0.0 111.998 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.35 -52.77 63.82 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.133 0.879 . . . . 0.0 110.511 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -60.64 -37.35 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.309 1.043 . . . . 0.0 112.58 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.69 -26.71 66.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.124 1.329 . . . . 0.0 112.554 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -85.08 -47.45 10.18 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.674 1.124 . . . . 0.0 111.628 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -73.87 -49.96 22.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.442 1.097 . . . . 0.0 111.772 -169.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.53 55.51 0.91 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.877 2.071 . . . . 0.0 111.06 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -61.06 139.84 57.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.666 0.746 . . . . 0.0 110.394 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.43 HD12 ' H ' ' B' ' 44' ' ' ILE . 0.2 OUTLIER -99.04 -7.21 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 125.302 1.441 . . . . 0.0 111.424 176.444 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.58 -133.34 15.66 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.51 1.053 . . . . 0.0 112.195 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.9 p -76.44 -17.49 59.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.474 1.11 . . . . 0.0 113.828 175.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.68 154.26 40.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.371 1.468 . . . . 0.0 111.509 173.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -83.9 -112.31 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.047 1.339 . . . . 0.0 111.984 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 71.89 1.09 3.77 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.806 2.442 . . . . 0.0 114.233 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.6 -28.18 69.71 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.094 -1.628 . . . . 0.0 113.185 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.75 70.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 0.0 113.121 170.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -80.99 -36.66 30.43 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.98 0.912 . . . . 0.0 110.692 170.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.75 -48.56 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.793 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.2 m -64.28 -26.65 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.336 1.426 . . . . 0.0 112.581 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.52 -38.61 59.27 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.554 1.07 . . . . 0.0 112.283 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -40.68 88.48 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 169.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 57.9 mtm -69.49 -31.69 70.1 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.55 -35.96 80.06 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.505 1.122 . . . . 0.0 111.971 170.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -71.38 -28.38 63.99 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.116 -0.99 . . . . 0.0 112.918 171.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.99 -48.17 46.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.133 0.973 . . . . 0.0 110.115 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.04 -31.67 72.86 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.169 1.788 . . . . 0.0 113.483 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -54.78 -22.03 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.362 1.465 . . . . 0.0 114.356 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.48 -18.61 61.09 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -141.24 -158.55 0.87 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.093 2.157 . . . . 0.0 111.395 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -101.73 -30.17 11.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.664 1.586 . . . . 0.0 114.205 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -173.56 -35.51 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.773 1.629 . . . . 0.0 112.966 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -107.31 125.62 51.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.625 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.62 119.33 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.801 2.04 . . . . 0.0 108.787 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -78.55 153.19 31.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.583 0.753 . . . . 0.0 111.617 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -47.46 -41.84 21.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.367 1.867 . . . . 0.0 115.07 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -64.03 -43.36 95.81 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.539 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -71.9 -34.9 69.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.757 0.708 . . . . 0.0 111.397 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.44 -42.95 93.09 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 170.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.78 -38.11 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.325 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.3 m -56.17 -41.77 76.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.187 1.358 . . . . 0.0 111.243 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -66.91 -38.46 86.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.23 -23.34 66.6 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.581 1.082 . . . . 0.0 112.272 170.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.16 96.41 Favored Glycine 0 N--CA 1.469 0.855 0 CA-C-N 119.514 1.052 . . . . 0.0 112.651 170.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.71 75.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 112.455 171.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tp -66.89 -38.5 86.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.605 0.762 . . . . 0.0 111.832 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.42 97.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.96 -1.088 . . . . 0.0 111.286 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.9 -35.94 77.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -35.05 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.689 1.131 . . . . 0.0 112.746 178.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -74.02 50.82 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.269 1.028 . . . . 0.0 111.784 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.39 -23.87 51.91 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.947 1.699 . . . . 0.0 114.385 -169.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -50.65 -37.31 40.0 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.967 1.307 . . . . 0.0 112.421 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.94 -27.77 61.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.477 1.111 . . . . 0.0 113.18 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.38 -39.33 39.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 110.259 172.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -64.09 -43.26 95.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.536 1.135 . . . . 0.0 112.503 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.371 0 C-N-CA 125.817 1.675 . . . . 0.0 113.964 179.488 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.83 -14.32 60.67 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.908 -1.12 . . . . 0.0 113.041 170.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 80.56 77.34 0.98 Allowed Glycine 0 N--CA 1.472 1.062 0 C-N-CA 124.635 1.112 . . . . 0.0 111.361 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -54.34 -35.51 62.8 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -170.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.29 -31.57 21.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.222 1.409 . . . . 0.0 113.419 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.1 -19.4 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.7 t -97.23 -36.81 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.573 1.549 . . . . 0.0 109.292 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.79 -36.41 83.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.47 1.508 . . . . 0.0 110.924 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -54.55 -33.56 60.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.559 1.143 . . . . 0.0 113.132 172.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.52 -20.94 66.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.153 -0.967 . . . . 0.0 113.013 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 58.2 mt -91.53 -41.97 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.398 1.479 . . . . 0.0 110.799 172.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -50.98 -43.38 60.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.978 0.911 . . . . 0.0 113.192 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.2 -1.18 48.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -110.16 -41.0 4.54 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.473 1.509 . . . . 0.0 113.482 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -124.11 132.32 8.29 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.795 1.188 . . . . 0.0 114.533 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -172.76 126.47 0.48 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.794 2.437 . . . . 0.0 109.99 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -164.42 -59.92 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.544 1.138 . . . . 0.0 112.654 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.29 -25.05 60.51 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 22.8 mmt -52.66 -47.89 66.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.898 0.879 . . . . 0.0 111.243 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -65.94 -19.46 65.87 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.778 1.231 . . . . 0.0 112.858 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -85.59 -47.22 10.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.139 1.376 . . . . 0.0 111.819 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 62.2 m -71.79 -49.78 35.7 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.311 1.444 . . . . 0.0 112.458 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.7 -34.19 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.835 0.743 . . . . 0.0 111.66 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -60.39 -28.85 68.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.198 0.999 . . . . 0.0 113.328 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -99.2 -38.08 9.04 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.53 66.8 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -171.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -82.43 -14.46 55.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.747 1.219 . . . . 0.0 113.391 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 44.6 t -96.86 -37.69 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 126.352 1.861 . . . . 0.0 111.554 -175.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.73 -8.62 10.95 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.104 2.161 . . . . 0.0 114.096 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 1.1 m -62.66 -20.22 64.6 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.917 1.687 . . . . 0.0 113.613 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.839 2.056 . . . . 0.0 112.444 -169.719 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 49.3 p . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 119.32 -0.371 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -81.55 154.66 26.13 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.794 1.238 . . . . 0.0 112.106 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -94.24 148.23 18.91 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.907 1.242 . . . . 0.0 110.69 169.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -44.15 74.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.286 0.634 . . . . 0.0 112.546 -175.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -31.61 69.62 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.29 1.436 . . . . 0.0 113.42 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -81.29 -16.46 52.45 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.557 1.071 . . . . 0.0 113.328 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.0 t -87.79 -38.26 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.127 1.371 . . . . 0.0 109.738 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 38.4 mt -68.71 -32.5 72.34 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.765 1.626 . . . . 0.0 111.379 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.03 -45.4 79.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 112.127 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -77.09 -12.97 60.01 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 80.3 mt -87.18 -43.63 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.845 1.258 . . . . 0.0 110.967 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -54.36 -39.6 67.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.452 1.501 . . . . 0.0 113.102 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.27 -1.32 3.24 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.106 1.362 . . . . 0.0 114.642 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.15 -16.8 56.1 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.295 1.038 . . . . 0.0 113.0 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 112.56 -173.28 15.19 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.961 1.744 . . . . 0.0 114.607 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.14 162.27 25.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.606 1.962 . . . . 0.0 111.76 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -155.39 -61.79 0.11 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.786 1.235 . . . . 0.0 112.279 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.73 -26.81 67.45 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.58 -52.11 66.94 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.853 0.861 . . . . 0.0 109.86 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -60.02 -28.36 67.67 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.124 -0.985 . . . . 0.0 112.778 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -76.29 -25.89 55.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.775 0.716 . . . . 0.0 112.606 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 27.9 m -97.1 -47.2 5.87 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.302 1.441 . . . . 0.0 112.838 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.3 mm -54.3 -49.7 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.453 1.101 . . . . 0.0 111.317 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -53.58 -38.19 63.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.294 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.54 -25.4 64.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.412 1.085 . . . . 0.0 113.775 -176.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -90.46 -35.0 15.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.244 1.018 . . . . 0.0 111.393 169.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -80.34 -20.66 43.7 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.417 1.487 . . . . 0.0 113.335 -169.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.62 -37.32 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 124.277 1.031 . . . . 0.0 112.555 169.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -79.21 -11.79 59.96 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.288 1.435 . . . . 0.0 113.129 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 14.2 m -79.33 -1.35 36.45 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.497 -1.377 . . . . 0.0 113.082 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.671 1.589 . . . . 0.0 112.682 -173.807 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.76 14.18 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.142 1.377 . . . . 0.0 114.354 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -40.2 -44.46 4.28 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -174.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -70.69 -30.5 17.88 Favored 'Trans proline' 0 C--N 1.356 0.97 0 CA-C-N 122.805 2.037 . . . . 0.0 113.477 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -82.02 -39.3 23.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.804 1.184 . . . . 0.0 111.666 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -56.93 -38.27 72.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.095 . . . . 0.0 112.558 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -67.03 -29.14 68.87 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.28 10.09 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.335 0.971 . . . . 0.0 112.789 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.252 10.6 pt -66.86 -26.51 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 120.812 -1.18 . . . . 0.0 111.588 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.85 -22.39 79.11 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.652 1.12 . . . . 0.0 113.272 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -51.05 56.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.285 1.542 . . . . 0.0 109.679 171.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -57.62 -41.52 81.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.102 0.961 . . . . 0.0 111.542 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.54 -45.98 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.274 0.943 . . . . 0.0 111.406 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -32.63 82.26 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.728 1.156 . . . . 0.0 112.719 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.08 -55.54 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 118.436 1.118 . . . . 0.0 110.294 169.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.1 -55.05 40.02 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.252 1.421 . . . . 0.0 114.563 -169.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.75 -22.25 66.05 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -168.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -55.73 -44.6 77.67 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.695 0.679 . . . . 0.0 111.681 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -81.58 -36.24 29.24 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.945 1.298 . . . . 0.0 112.52 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -61.58 -24.22 66.52 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.54 1.064 . . . . 0.0 113.704 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 14.12 65.71 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.594 1.569 . . . . 0.0 115.098 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -74.58 -53.34 9.59 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.37 1.585 . . . . 0.0 110.982 173.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -99.07 94.83 6.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.445 1.098 . . . . 0.0 109.83 173.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.16 -142.02 31.01 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.03 0.824 . . . . 0.0 111.809 -175.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.74 127.54 17.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.081 1.352 . . . . 0.0 109.932 170.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -168.92 173.84 6.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.333 1.453 . . . . 0.0 112.601 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 30.03 4.47 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.943 2.097 . . . . 0.0 113.025 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -143.73 152.5 41.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.016 2.127 . . . . 0.0 111.29 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -116.13 134.04 55.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.083 1.753 . . . . 0.0 111.073 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.6 p -79.62 170.76 16.08 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.335 -0.853 . . . . 0.0 110.838 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -55.25 -49.87 70.92 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.338 -1.476 . . . . 0.0 113.299 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -70.01 -33.99 72.72 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.72 -33.71 74.4 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.241 1.416 . . . . 0.0 111.438 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.47 HD11 HD13 ' A' ' 60' ' ' LEU . 2.6 tm? -71.07 -44.17 66.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.852 1.261 . . . . 0.0 110.872 169.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -40.87 76.6 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.745 -1.222 . . . . 0.0 111.055 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.27 -51.58 68.77 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.727 1.211 . . . . 0.0 111.651 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.21 -48.28 62.07 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.09 1.314 . . . . 0.0 111.689 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.7 -50.01 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.484 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -69.92 -26.91 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -87.54 -49.41 7.2 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.39 -46.12 9.93 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.046 0.839 . . . . 0.0 112.027 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -105.44 36.27 2.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.275 1.43 . . . . 0.0 109.754 -171.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.12 159.6 9.37 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 127.815 2.446 . . . . 0.0 115.535 -168.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.98 146.49 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 127.776 2.43 . . . . 0.0 108.789 169.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.01 -33.81 28.58 Favored Glycine 0 N--CA 1.474 1.173 0 N-CA-C 115.727 1.051 . . . . 0.0 115.727 -169.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -84.67 -31.55 24.08 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.541 1.17 . . . . 0.0 113.494 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.1 mttm 62.57 9.53 3.52 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.815 2.046 . . . . 0.0 114.83 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.68 -25.02 67.76 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.454 1.101 . . . . 0.0 112.209 170.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -83.88 10.36 9.88 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.654 1.581 . . . . 0.0 113.591 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.17 -27.05 65.31 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.315 -1.49 . . . . 0.0 113.037 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.1 69.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.321 . . . . 0.0 112.82 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.33 -31.96 37.99 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.658 0.783 . . . . 0.0 111.495 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.1 mm -67.07 -42.06 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.086 1.312 . . . . 0.0 111.965 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -65.56 -30.57 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.395 0.998 . . . . 0.0 111.443 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -76.6 -36.62 57.39 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.728 -0.608 . . . . 0.0 112.159 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.91 -42.13 98.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.158 0.89 . . . . 0.0 111.136 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -60.82 -37.76 83.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.137 0.975 . . . . 0.0 112.026 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.07 -31.22 67.58 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.103 0.961 . . . . 0.0 113.141 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -73.53 -32.65 64.33 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.951 1.3 . . . . 0.0 112.59 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD13 HD11 ' A' ' 34' ' ' LEU . 1.1 mt -67.53 -43.61 80.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.568 1.547 . . . . 0.0 111.735 169.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.87 -18.21 64.73 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.067 1.347 . . . . 0.0 113.463 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -54.17 -27.4 33.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.785 1.634 . . . . 0.0 113.742 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -61.32 -30.29 70.4 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.563 1.145 . . . . 0.0 113.438 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -143.34 -132.15 0.09 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 110.783 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -168.78 97.2 0.38 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.869 2.068 . . . . 0.0 110.438 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 112.03 -14.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 131.252 3.821 . . . . 0.0 113.091 170.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -159.3 153.44 23.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.462 1.105 . . . . 0.0 112.43 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.6 t -127.2 112.15 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.388 1.875 . . . . 0.0 108.057 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -79.19 160.26 27.02 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.305 0.642 . . . . 0.0 110.672 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -49.17 -46.12 44.98 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -174.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -64.74 -36.7 85.13 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.196 -0.94 . . . . 0.0 112.244 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -71.59 -34.83 70.22 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.979 0.912 . . . . 0.0 111.842 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -61.73 -46.48 89.48 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.67 1.188 . . . . 0.0 111.204 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.4 mt -67.32 -35.59 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.334 -0.854 . . . . 0.0 111.782 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.2 m -61.14 -42.64 98.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 111.146 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.7 -39.87 91.69 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.104 0.865 . . . . 0.0 111.828 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.44 -22.94 67.11 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.048 0.84 . . . . 0.0 112.691 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.01 -36.47 60.77 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.267 0.937 . . . . 0.0 112.071 169.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.85 78.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 117.913 0.857 . . . . 0.0 111.062 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 tp -61.95 -39.52 92.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.687 1.195 . . . . 0.0 111.953 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.91 71.26 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.867 0.867 . . . . 0.0 112.436 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.8 ttm -74.31 -23.57 59.09 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -61.9 -29.37 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.35 0.977 . . . . 0.0 111.236 170.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.16 57.41 0.85 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.2 1.0 . . . . 0.0 111.63 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -50.76 -27.99 8.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.353 1.861 . . . . 0.0 115.284 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -68.66 -45.55 71.44 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.378 0.99 . . . . 0.0 111.767 174.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.78 74.31 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.252 1.021 . . . . 0.0 111.835 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -5.42 35.12 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.752 2.021 . . . . 0.0 113.748 173.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -117.38 -43.89 2.8 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.637 1.575 . . . . 0.0 112.627 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 CA-C-O 118.071 -1.405 . . . . 0.0 113.864 -179.521 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 111.235 0.087 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.68 -40.05 66.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -52.53 -43.83 93.11 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.44 -39.89 72.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.109 3.206 . . . . 0.0 114.365 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 40.7 tp -74.35 -43.41 56.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.339 0.972 . . . . 0.0 111.247 174.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.2 -41.68 93.51 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 0.0 111.103 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.5 -23.86 60.1 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.95 -42.03 58.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.48 1.037 . . . . 0.0 111.662 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 pt -67.9 -26.77 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.25 -0.906 . . . . 0.0 111.245 169.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.37 -22.7 74.88 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.871 1.224 . . . . 0.0 113.621 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.3 56.31 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.156 1.478 . . . . 0.0 110.51 171.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -56.88 -42.59 80.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.892 1.277 . . . . 0.0 112.098 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.4 mt -66.6 -47.25 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 118.303 0.502 . . . . 0.0 110.463 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.86 85.61 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.32 0.962 . . . . 0.0 114.1 -174.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.83 -44.08 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.588 1.194 . . . . 0.0 111.497 171.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -69.39 -50.11 49.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.711 0.687 . . . . 0.0 112.479 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -72.91 -24.02 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -61.4 -39.65 91.5 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.603 -0.686 . . . . 0.0 110.993 168.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.84 -41.93 20.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -60.96 -18.61 58.1 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.02 -7.13 86.6 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.979 -0.901 . . . . 0.0 114.604 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.06 -33.93 33.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.202 1.501 . . . . 0.0 113.512 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -158.89 -18.18 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.55 -171.99 31.17 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.113 1.34 . . . . 0.0 114.423 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.72 -162.94 1.0 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.056 1.342 . . . . 0.0 111.246 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -62.44 -23.25 66.77 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.754 -1.216 . . . . 0.0 114.21 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.97 19.36 1.12 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.481 1.513 . . . . 0.0 114.393 -172.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 78.7 p -127.34 158.09 38.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.949 1.3 . . . . 0.0 112.29 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -126.62 144.58 50.85 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.076 2.151 . . . . 0.0 108.96 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -77.1 158.88 30.21 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.597 1.09 . . . . 0.0 109.458 168.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -61.81 -30.52 70.88 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.674 -1.891 . . . . 0.0 112.826 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -42.89 60.55 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.525 -1.36 . . . . 0.0 112.171 173.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -62.6 -38.69 91.13 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.03 1.332 . . . . 0.0 111.265 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.402 ' C ' HD13 ' B' ' 34' ' ' LEU . 2.5 tm? -63.52 -42.1 98.47 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.165 1.386 . . . . 0.0 111.927 169.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -54.47 -43.86 72.07 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.938 1.245 . . . . 0.0 110.726 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.54 -40.61 93.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.665 0.786 . . . . 0.0 112.455 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.49 -48.02 78.04 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.329 -0.844 . . . . 0.0 111.063 170.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.8 -42.35 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.841 1.2 . . . . 0.0 111.193 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -60.28 -34.2 73.41 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.111 1.323 . . . . 0.0 112.677 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -86.91 -24.81 24.7 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -84.95 -52.42 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.165 1.786 . . . . 0.0 111.417 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -117.7 74.28 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.906 2.483 . . . . 0.0 107.791 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 54.4 m -70.43 95.1 1.02 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.617 1.167 . . . . 0.0 109.737 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.2 pt -59.96 144.13 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.264 1.825 . . . . 0.0 113.036 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.3 -12.01 82.02 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.233 0.921 . . . . 0.0 115.175 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 85.9 p -165.37 166.05 18.88 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.176 1.791 . . . . 0.0 111.324 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -68.93 -12.83 62.01 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.67 -22.79 66.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.568 1.147 . . . . 0.0 113.238 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -87.45 -5.92 58.63 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.841 1.256 . . . . 0.0 112.832 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.69 -39.82 74.5 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.384 -1.448 . . . . 0.0 112.498 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.01 70.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 112.679 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -80.73 -31.68 35.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.731 0.812 . . . . 0.0 111.613 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -70.97 -39.94 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.999 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.0 m -66.32 -28.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.981 1.264 . . . . 0.0 111.836 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -70.35 -46.63 63.73 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.874 0.87 . . . . 0.0 111.445 169.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.98 -44.4 82.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.047 0.939 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -62.13 -41.19 98.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.799 1.639 . . . . 0.0 112.678 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -73.68 -30.54 62.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.918 0.781 . . . . 0.0 112.807 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.5 -25.53 60.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.139 0.976 . . . . 0.0 112.568 170.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.62 -43.42 55.56 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.23 169.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.39 -9.91 57.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.44 1.496 . . . . 0.0 114.338 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -58.42 -20.51 45.22 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.279 1.032 . . . . 0.0 112.735 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -66.25 -18.1 65.15 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.782 1.633 . . . . 0.0 113.732 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -151.72 -122.12 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.715 2.006 . . . . 0.0 110.603 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -163.22 19.59 0.08 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.274 1.429 . . . . 0.0 114.81 -175.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -176.01 -24.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.655 1.582 . . . . 0.0 113.542 -170.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -155.76 151.72 27.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.849 1.26 . . . . 0.0 112.036 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 44.1 t -119.33 122.47 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.936 2.095 . . . . 0.0 108.823 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -89.68 153.17 20.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.106 0.962 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.45 -42.91 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.42 -43.16 95.23 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.371 0.532 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.97 -34.25 73.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.2 . . . . 0.0 111.911 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -58.56 -39.93 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.583 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.33 -36.85 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 121.194 -0.941 . . . . 0.0 112.349 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -59.71 -37.03 77.73 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.063 1.301 . . . . 0.0 111.332 171.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -68.55 -41.06 80.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.684 0.793 . . . . 0.0 112.194 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.38 -30.59 71.7 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.212 0.914 . . . . 0.0 112.235 171.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.5 -25.04 69.85 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-O 118.392 -1.227 . . . . 0.0 113.188 170.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.02 -50.36 9.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.337 1.568 . . . . 0.0 110.56 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.36 -48.1 62.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.651 1.18 . . . . 0.0 111.505 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.53 61.19 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.495 1.118 . . . . 0.0 113.24 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 12.9 ttt -80.72 -42.39 21.99 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.753 1.221 . . . . 0.0 111.639 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.51 -24.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.053 1.741 . . . . 0.0 111.546 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -55.13 -29.12 57.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.178 0.991 . . . . 0.0 112.505 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.253 7.3 p30 51.43 -50.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 1 C-N-CA 133.031 4.532 . . . . 0.0 118.068 169.687 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.17 -28.82 67.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.499 1.12 . . . . 0.0 111.33 172.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.91 77.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.442 1.097 . . . . 0.0 113.014 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.6 mt -67.42 -49.17 64.93 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.592 0.633 . . . . 0.0 110.439 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -63.89 -40.44 96.52 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.737 0.815 . . . . 0.0 112.836 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.552 2.025 . . . . 0.0 112.768 175.728 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -163.28 167.84 21.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.483 1.513 . . . . 0.0 111.46 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -146.67 131.98 4.23 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.082 1.325 . . . . 0.0 111.957 171.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.94 -29.97 68.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.637 1.175 . . . . 0.0 113.323 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 74.1 mtm -53.76 -30.24 43.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.808 1.243 . . . . 0.0 112.556 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -68.13 -17.94 64.5 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.08 -42.9 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.319 1.448 . . . . 0.0 109.284 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.3 -35.83 80.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.161 1.384 . . . . 0.0 112.074 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -67.7 -23.32 65.27 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.212 -0.93 . . . . 0.0 112.997 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -69.53 -23.61 63.61 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.974 -1.079 . . . . 0.0 112.999 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.48 -26.24 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.383 1.073 . . . . 0.0 111.107 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -53.9 -37.38 63.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.282 -0.886 . . . . 0.0 112.212 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.27 -2.96 58.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.178 1.791 . . . . 0.0 113.905 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -103.61 -28.82 11.49 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.629 1.571 . . . . 0.0 111.873 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -65.26 157.97 46.31 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.165 1.364 . . . . 0.0 113.078 173.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -91.17 162.29 14.72 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.132 1.373 . . . . 0.0 112.936 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.43 -14.95 32.37 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.217 1.407 . . . . 0.0 113.232 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -59.93 -27.36 66.71 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.587 1.155 . . . . 0.0 113.56 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 36.8 ttm -54.93 -53.71 52.15 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.914 0.886 . . . . 0.0 110.057 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -72.64 -24.48 61.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.522 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -36.32 83.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.435 1.471 . . . . 0.0 111.813 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 45.9 m -76.96 -44.89 29.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 112.348 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 82.1 mt -66.2 -45.36 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.017 0.371 . . . . 0.0 111.477 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 112.999 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -58.68 -49.79 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.997 -1.064 . . . . 0.0 112.142 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.612 0.765 . . . . 0.0 112.529 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -71.05 -32.96 69.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.722 1.209 . . . . 0.0 112.74 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 42.2 t -75.48 -45.19 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.143 1.377 . . . . 0.0 112.228 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.69 -0.5 51.03 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.135 1.374 . . . . 0.0 114.456 -169.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 73.6 p -76.77 -11.31 59.82 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.232 1.413 . . . . 0.0 113.122 -169.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.499 0.19 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -73.99 164.12 27.03 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.293 1.437 . . . . 0.0 111.723 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 141.52 -33.55 1.97 Allowed Glycine 0 N--CA 1.473 1.108 0 C-N-CA 124.86 1.219 . . . . 0.0 114.254 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 192' ' ' LEU . . . . . 0.502 ' H ' HD23 ' D' ' 192' ' ' LEU . 1.9 pt? -55.2 -37.48 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.638 1.175 . . . . 0.0 112.221 175.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -55.65 -30.84 61.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.613 1.565 . . . . 0.0 113.133 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.01 -25.8 64.68 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.611 1.096 . . . . 0.0 112.913 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.23 -36.85 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.229 1.411 . . . . 0.0 109.781 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 58.0 mt -72.1 -24.55 61.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.934 1.693 . . . . 0.0 113.07 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.38 -29.43 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.13 -0.982 . . . . 0.0 112.319 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -64.82 -19.71 66.0 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.379 -0.826 . . . . 0.0 113.066 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.75 -45.67 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.419 1.488 . . . . 0.0 110.756 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -51.54 -41.95 61.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.596 1.158 . . . . 0.0 113.293 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.58 -5.33 56.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.767 1.227 . . . . 0.0 113.927 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -110.96 -38.94 4.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.666 1.586 . . . . 0.0 114.266 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.79 139.7 20.26 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 115.699 1.039 . . . . 0.0 115.699 -169.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -153.97 44.16 0.57 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.126 2.17 . . . . 0.0 109.854 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.38 -168.56 1.74 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.594 1.958 . . . . 0.0 114.728 -169.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.66 -24.56 57.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -61.62 -37.67 84.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.361 0.982 . . . . 0.0 111.119 173.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -65.42 -25.53 67.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.639 -1.288 . . . . 0.0 111.564 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -78.5 -42.6 29.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.531 1.133 . . . . 0.0 111.895 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 70.5 p -69.87 -38.38 76.39 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.682 1.128 . . . . 0.0 111.895 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 25.4 mm -61.79 -42.45 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.562 1.145 . . . . 0.0 111.86 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.45 -47.42 84.05 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.079 0.854 . . . . 0.0 111.247 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.87 -48.2 82.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.252 -0.905 . . . . 0.0 112.348 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.31 74.05 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -73.45 -39.98 64.55 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.921 0.888 . . . . 0.0 111.602 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.52 -42.57 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.225 1.01 . . . . 0.0 110.863 174.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -68.61 -10.39 55.69 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.475 1.91 . . . . 0.0 113.719 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 23.9 m -89.08 -9.22 51.93 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.257 1.023 . . . . 0.0 113.581 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.323 1.449 . . . . 0.0 113.331 -174.824 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 117.331 -1.319 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.15 -15.94 0.38 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 128.034 2.534 . . . . 0.0 115.313 172.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -40.9 -51.39 7.25 Favored Pre-proline 0 CA--C 1.547 0.837 0 N-CA-C 117.306 2.335 . . . . 0.0 117.306 -169.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.51 -34.65 14.94 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.707 1.605 . . . . 0.0 112.49 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.4 tp -75.86 -39.48 56.47 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.107 0.867 . . . . 0.0 111.46 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.6 -38.77 90.42 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.06 0.544 . . . . 0.0 110.874 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -69.61 -31.02 68.9 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.494 -0.754 . . . . 0.0 112.725 172.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.86 69.47 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.875 1.216 . . . . 0.0 112.545 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 pt -63.22 -30.43 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 118.931 0.787 . . . . 0.0 111.001 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -33.71 87.98 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.88 1.229 . . . . 0.0 113.255 172.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.99 62.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.225 1.012 . . . . 0.0 110.105 173.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.07 -39.56 78.83 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.488 1.115 . . . . 0.0 112.369 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.68 -52.14 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.549 1.068 . . . . 0.0 110.43 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.55 -31.93 71.08 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.471 -0.627 . . . . 0.0 113.389 -175.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -68.23 -37.49 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.309 1.054 . . . . 0.0 112.473 172.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -80.12 -50.82 9.78 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.777 0.717 . . . . 0.0 112.019 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -68.39 -26.74 65.71 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -62.83 -33.11 74.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.33 -0.856 . . . . 0.0 112.813 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -80.44 -37.54 31.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.187 0.995 . . . . 0.0 111.997 172.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.8 m -56.43 -43.16 79.14 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.254 0.934 . . . . 0.0 113.453 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.94 -5.99 54.59 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 119.06 -0.856 . . . . 0.0 115.072 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -78.49 -44.76 23.69 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.099 1.45 . . . . 0.0 113.043 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -152.3 -3.6 0.25 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.41 -171.57 48.15 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 119.908 1.231 . . . . 0.0 113.71 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.36 -142.79 0.06 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.964 1.305 . . . . 0.0 110.837 174.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -57.09 -52.61 64.6 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.377 -1.452 . . . . 0.0 112.049 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.03 49.24 0.64 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.112 1.765 . . . . 0.0 112.417 -169.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -123.42 162.58 22.53 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.555 1.542 . . . . 0.0 111.096 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.4 mt -128.61 137.52 51.73 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.239 1.416 . . . . 0.0 109.639 169.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.9 p -77.73 164.53 25.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.74 -1.225 . . . . 0.0 109.246 169.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -56.86 -35.08 68.46 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.481 -1.387 . . . . 0.0 112.643 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.64 -43.6 72.31 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.942 -1.099 . . . . 0.0 112.836 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.92 -35.42 78.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.402 -0.811 . . . . 0.0 112.175 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.05 -40.23 78.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.027 1.731 . . . . 0.0 110.755 172.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -57.27 -46.53 82.99 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.613 -1.305 . . . . 0.0 111.31 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -60.12 -36.59 77.81 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.18 0.992 . . . . 0.0 112.217 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.51 -52.73 56.32 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 110.705 169.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.3 mt -57.3 -46.95 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.789 1.177 . . . . 0.0 112.064 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.02 -34.35 76.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.424 0.557 . . . . 0.0 112.416 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.38 7.2 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 176.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.92 -14.27 42.35 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.117 1.367 . . . . 0.0 114.119 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -120.13 43.78 2.6 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 167.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.0 m -16.71 103.39 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.872 1 C-N-CA 131.911 4.084 . . . . 0.0 114.707 -169.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mt -95.92 -41.55 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.284 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.69 8.1 84.01 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.755 1.169 . . . . 0.0 114.573 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 t -167.81 160.21 12.28 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.589 1.955 . . . . 0.0 110.829 -173.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.25 6.15 49.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.354 1.062 . . . . 0.0 113.076 170.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.17 -39.65 60.35 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.009 1.323 . . . . 0.0 113.168 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -92.92 2.16 56.93 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.475 1.11 . . . . 0.0 113.694 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.5 -26.31 68.47 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.165 -1.584 . . . . 0.0 114.139 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.9 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.466 1.106 . . . . 0.0 113.557 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -80.78 -38.11 29.08 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 109.516 169.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.7 mm -61.64 -42.4 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.018 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.8 m -64.32 -28.13 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.56 1.527 . . . . 0.0 112.867 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -74.6 -31.86 62.17 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.312 0.96 . . . . 0.0 113.084 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.95 -36.18 72.47 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.028 -1.045 . . . . 0.0 111.838 171.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 mtp -62.19 -39.38 92.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.929 1.292 . . . . 0.0 112.163 171.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.99 -32.98 73.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.837 0.855 . . . . 0.0 112.386 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.77 -33.64 52.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 112.784 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.56 -48.11 65.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -77.96 -7.16 56.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.906 0.882 . . . . 0.0 112.525 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -55.21 -28.83 55.86 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.622 1.101 . . . . 0.0 112.713 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -82.98 -2.96 56.58 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -143.81 -29.25 0.51 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 62.73 19.27 11.29 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.944 2.498 . . . . 0.0 113.546 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -148.62 -82.75 0.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.865 1.666 . . . . 0.0 109.528 -169.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -128.79 141.64 51.24 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.289 2.235 . . . . 0.0 108.42 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -79.88 106.79 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.91 1.284 . . . . 0.0 108.677 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -80.33 157.94 26.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 111.652 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.43 -42.61 87.66 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -169.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 -40.93 90.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.559 1.072 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -66.77 -36.32 82.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.235 1.414 . . . . 0.0 112.097 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.53 -42.16 87.14 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.81 0.844 . . . . 0.0 111.331 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.32 -40.55 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.237 -0.914 . . . . 0.0 111.686 177.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -54.49 -41.17 69.26 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.633 1.106 . . . . 0.0 111.536 170.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -39.33 76.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.31 -28.96 68.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.535 1.061 . . . . 0.0 111.696 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.8 -34.57 90.25 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.063 0.839 . . . . 0.0 113.42 169.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.57 -44.37 57.51 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.777 1.289 . . . . 0.0 111.834 170.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.15 -45.32 79.68 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.247 1.019 . . . . 0.0 110.903 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.87 69.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.053 1.341 . . . . 0.0 113.821 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.12 -34.26 43.54 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 112.661 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.08 -33.62 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.764 0.826 . . . . 0.0 110.679 171.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -70.91 43.92 0.08 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.352 1.461 . . . . 0.0 111.798 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -52.44 -22.29 4.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.016 2.526 . . . . 0.0 117.466 -168.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.73 -22.06 66.9 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 120.775 1.625 . . . . 0.0 112.825 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.57 -53.21 9.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.935 1.694 . . . . 0.0 111.774 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.2 tp -78.68 46.29 0.65 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.771 2.028 . . . . 0.0 111.911 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -153.58 -27.07 0.14 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.331 1.452 . . . . 0.0 113.208 -169.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.228 0 CA-C-O 117.638 -1.645 . . . . 0.0 113.215 177.225 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.19 77.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.05 -37.52 33.48 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -59.25 -39.17 80.71 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.046 2.498 . . . . 0.0 113.896 169.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -76.32 -40.91 50.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.952 0.796 . . . . 0.0 111.711 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.87 -37.42 84.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.12 1.368 . . . . 0.0 112.271 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -76.32 -20.86 56.86 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.83 -48.12 12.87 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.474 1.034 . . . . 0.0 112.045 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 pt -63.36 -32.33 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.088 -1.008 . . . . 0.0 110.65 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.84 70.28 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.789 1.185 . . . . 0.0 113.914 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -50.52 34.24 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.791 1.295 . . . . 0.0 110.015 171.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.31 -42.39 81.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.809 0.843 . . . . 0.0 111.251 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.28 -45.66 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 CA-C-N 118.816 0.734 . . . . 0.0 111.08 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.73 -33.5 86.15 Favored Glycine 0 N--CA 1.47 0.935 0 C-N-CA 124.523 1.059 . . . . 0.0 112.877 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mt -72.15 -57.39 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 117.893 0.847 . . . . 0.0 109.879 169.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.48 -51.11 68.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.467 0.707 . . . . 0.0 112.841 -173.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -70.81 -25.6 62.93 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -172.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.52 -41.77 99.06 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.442 -0.786 . . . . 0.0 111.363 169.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -81.33 -43.85 18.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.3 p -65.63 -26.14 67.69 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.098 1.772 . . . . 0.0 112.851 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.99 -2.54 58.25 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.828 1.204 . . . . 0.0 115.231 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.32 -40.17 81.76 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.936 1.368 . . . . 0.0 113.011 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -82.71 -22.48 34.48 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.87 -166.5 31.94 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.895 1.236 . . . . 0.0 113.224 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 103.28 1.25 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.313 1.045 . . . . 0.0 111.054 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -146.44 170.46 16.8 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.66 1.584 . . . . 0.0 113.292 -169.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -139.12 21.37 2.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.57 1.948 . . . . 0.0 112.977 172.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -143.31 141.05 30.85 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.268 2.227 . . . . 0.0 109.655 -173.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.3 131.58 39.78 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.668 1.187 . . . . 0.0 111.079 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.5 t -78.78 150.99 32.24 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.555 -0.715 . . . . 0.0 109.981 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -57.84 -34.66 69.94 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.22 -1.55 . . . . 0.0 114.136 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -74.62 -30.77 61.78 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.57 1.548 . . . . 0.0 113.496 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.33 -38.01 63.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.847 2.059 . . . . 0.0 109.852 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.23 -43.63 98.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.537 1.535 . . . . 0.0 109.719 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -62.38 -29.26 70.35 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.675 -1.266 . . . . 0.0 112.497 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -50.04 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.147 1.379 . . . . 0.0 110.916 169.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.17 -50.97 57.96 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.903 1.281 . . . . 0.0 111.049 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.4 -53.82 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.327 0.512 . . . . 0.0 111.349 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -65.86 -23.8 66.74 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -86.7 -51.35 6.17 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -86.69 -41.05 14.5 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.611 0.764 . . . . 0.0 112.847 -172.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.61 -41.22 10.33 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.575 0.75 . . . . 0.0 110.313 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p 78.05 154.33 0.15 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 130.53 3.532 . . . . 0.0 112.276 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 tp -77.28 134.26 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 C-N-CA 123.946 0.898 . . . . 0.0 111.911 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.1 -32.47 35.58 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 123.793 0.711 . . . . 0.0 113.67 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.1 p -176.51 161.2 2.14 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.457 2.303 . . . . 0.0 109.883 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -60.4 -36.65 78.62 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.442 -1.411 . . . . 0.0 113.42 -171.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.59 HD13 ' H ' ' B' ' 48' ' ' LEU . 0.0 OUTLIER -76.41 -11.31 59.87 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 175.706 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -75.54 -19.31 59.41 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.727 0.811 . . . . 0.0 111.954 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.76 -27.11 69.06 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.294 -0.879 . . . . 0.0 112.631 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.62 69.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.704 1.202 . . . . 0.0 112.751 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -81.54 -37.19 28.18 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.836 0.854 . . . . 0.0 111.361 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -61.35 -43.65 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.846 0.748 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.85 -26.93 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.945 0.793 . . . . 0.0 112.097 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -79.04 -34.68 43.6 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.134 0.879 . . . . 0.0 112.091 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -43.34 87.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.993 -1.067 . . . . 0.0 110.373 170.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -58.26 -40.95 83.17 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.362 1.065 . . . . 0.0 111.476 171.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.39 -34.66 78.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.703 1.201 . . . . 0.0 113.262 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.76 -18.36 59.57 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -81.44 -47.56 13.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 110.025 168.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.36 -12.36 20.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.175 2.19 . . . . 0.0 113.431 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.03 -25.08 65.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.575 1.95 . . . . 0.0 112.837 169.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -69.98 -40.08 75.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.872 0.869 . . . . 0.0 112.64 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.51 131.4 2.62 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.784 2.034 . . . . 0.0 109.57 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -68.97 29.27 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 -168.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -156.27 -51.93 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.008 -1.058 . . . . 0.0 110.978 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -138.97 135.91 34.84 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 110.334 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.15 119.08 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.303 2.241 . . . . 0.0 108.557 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -77.85 160.44 28.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 111.659 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.87 -47.07 68.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.716 1.206 . . . . 0.0 114.224 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.34 -30.95 70.91 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.512 -0.743 . . . . 0.0 112.373 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -74.32 -38.73 63.22 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.365 1.066 . . . . 0.0 110.859 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -59.98 -44.72 94.31 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -68.67 -34.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.266 -0.896 . . . . 0.0 112.289 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.7 m -62.24 -40.36 95.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.671 1.123 . . . . 0.0 111.089 173.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.29 -38.93 85.82 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.245 0.618 . . . . 0.0 112.156 172.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.59 -22.09 66.71 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.344 -0.847 . . . . 0.0 112.606 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.79 -38.23 92.89 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 119.871 1.214 . . . . 0.0 112.158 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -40.63 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.94 0.87 . . . . 0.0 111.677 169.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.54 -15.55 63.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.793 0.837 . . . . 0.0 113.105 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.62 -45.2 16.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.503 1.121 . . . . 0.0 109.379 168.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 ttm -67.34 -25.86 66.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.948 1.299 . . . . 0.0 113.892 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.97 -29.61 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.114 0.87 . . . . 0.0 112.385 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.34 53.06 0.81 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.72 1.608 . . . . 0.0 111.584 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -42.48 -36.75 1.41 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.9 2.88 . . . . 0.0 115.881 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.86 -27.33 62.8 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.249 0.932 . . . . 0.0 113.22 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.79 65.17 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.979 -1.076 . . . . 0.0 112.12 169.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.32 16.28 18.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.627 1.971 . . . . 0.0 112.111 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -116.53 -43.61 2.91 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 168.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.232 0 C-N-CA 125.511 1.529 . . . . 0.0 113.815 -179.617 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 51.78 -165.39 0.06 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.973 2.509 . . . . 0.0 115.107 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.42 -12.16 84.11 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.71 1.148 . . . . 0.0 114.482 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.13 -68.05 0.22 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.157 1.383 . . . . 0.0 111.038 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 26.2 mmt -59.47 -27.95 66.57 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.364 -0.835 . . . . 0.0 112.584 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -66.67 -18.91 65.62 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 55.1 t -96.65 -32.97 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.65 1.18 . . . . 0.0 109.923 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.71 -30.82 70.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.295 1.438 . . . . 0.0 111.894 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.63 -30.16 60.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.391 1.076 . . . . 0.0 112.862 172.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -65.28 -22.8 66.89 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.187 -0.946 . . . . 0.0 113.084 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 54.5 mt -87.9 -43.52 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.008 1.323 . . . . 0.0 110.522 169.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -50.73 -42.24 57.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.262 1.025 . . . . 0.0 113.561 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.68 -10.06 59.35 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -110.45 14.02 22.64 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.181 2.192 . . . . 0.0 112.054 172.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -60.97 151.06 42.36 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.363 1.459 . . . . 0.0 116.513 -169.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.83 161.36 21.19 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.699 2.399 . . . . 0.0 115.401 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -112.89 -2.23 14.38 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.891 2.077 . . . . 0.0 113.756 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -91.39 -28.44 17.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.878 1.217 . . . . 0.0 113.294 170.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 39.1 ttm -50.23 -48.58 54.46 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.298 1.439 . . . . 0.0 111.386 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -56.38 -37.16 69.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.709 0.804 . . . . 0.0 112.936 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -74.1 -37.83 64.04 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.774 0.83 . . . . 0.0 111.096 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 92.9 m -73.73 -37.27 65.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.884 1.273 . . . . 0.0 111.877 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.03 -47.53 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.894 0.878 . . . . 0.0 110.429 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.16 -37.8 84.18 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 122.001 -0.437 . . . . 0.0 112.012 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -63.96 -57.18 10.51 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.685 0.794 . . . . 0.0 111.966 170.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -51.31 -25.66 6.25 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.488 1.915 . . . . 0.0 114.255 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -67.19 -27.66 67.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.413 1.485 . . . . 0.0 112.931 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 59.4 t -90.3 -26.76 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.71 2.004 . . . . 0.0 112.833 -174.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -66.61 -0.04 2.6 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 -169.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 8.7 m -72.02 -16.3 62.05 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.487 -1.383 . . . . 0.0 112.519 170.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.917 2.087 . . . . 0.0 112.95 -174.213 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -117.23 142.34 47.17 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.841 1.257 . . . . 0.0 110.839 -170.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -90.32 19.51 42.99 Favored Glycine 0 N--CA 1.474 1.223 0 C-N-CA 125.135 1.35 . . . . 0.0 115.074 -175.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 pp -52.72 -40.5 63.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.378 1.471 . . . . 0.0 113.977 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -26.42 49.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.928 1.291 . . . . 0.0 113.598 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -71.37 -17.29 62.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.101 0.96 . . . . 0.0 113.51 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 52.3 t -97.3 -38.54 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.121 1.368 . . . . 0.0 109.528 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.52 -35.28 79.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.053 1.341 . . . . 0.0 111.769 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -55.78 -34.3 65.14 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.345 1.058 . . . . 0.0 112.496 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.43 -15.2 63.54 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 21.7 mm -90.86 -46.85 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 110.244 169.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.81 -38.44 67.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.75 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -1.17 9.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -174.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.56 -22.58 63.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.499 1.12 . . . . 0.0 113.07 170.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 127.83 159.74 10.18 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.956 1.741 . . . . 0.0 113.23 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.66 27.48 0.44 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.079 1.352 . . . . 0.0 113.619 -170.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.9 -50.71 65.45 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.063 -1.023 . . . . 0.0 112.014 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.6 -26.29 68.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.379 1.071 . . . . 0.0 113.407 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 46.9 tpp -58.46 -46.8 85.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.449 1.1 . . . . 0.0 110.586 172.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.7 -29.6 65.94 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.426 -0.796 . . . . 0.0 112.605 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.37 -30.52 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.239 1.382 . . . . 0.0 112.506 172.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 87.4 m -73.11 -49.91 25.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.497 1.519 . . . . 0.0 110.863 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 68.8 mt -75.64 -41.83 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.23 -172.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -53.05 -44.44 67.44 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.166 1.348 . . . . 0.0 112.558 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -69.59 -11.8 61.13 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.67 10.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.25 1.02 . . . . 0.0 110.612 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -68.48 -37.63 80.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.349 1.46 . . . . 0.0 112.273 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.28 -34.62 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.908 1.683 . . . . 0.0 113.952 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -63.96 -23.8 67.48 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.592 1.557 . . . . 0.0 112.872 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 18.3 t -91.81 111.39 22.9 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.045 -1.034 . . . . 0.0 110.566 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.76 2.024 . . . . 0.0 112.647 -175.092 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.23 -44.45 12.88 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -171.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -58.03 -31.42 10.07 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -175.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.61 -43.21 28.09 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.574 2.183 . . . . 0.0 113.021 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.75 -45.14 53.77 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 118.797 0.726 . . . . 0.0 111.385 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -63.3 -33.37 75.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.604 0.761 . . . . 0.0 112.386 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.55 -34.89 60.76 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.562 -0.711 . . . . 0.0 112.351 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.82 78.69 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.375 0.989 . . . . 0.0 112.108 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt -66.51 -25.92 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.319 -0.863 . . . . 0.0 111.817 172.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.43 82.11 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.753 1.168 . . . . 0.0 113.4 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -50.74 71.89 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.143 1.377 . . . . 0.0 109.841 175.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.02 -39.56 86.27 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.393 1.077 . . . . 0.0 112.233 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -64.82 -44.13 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.216 1.371 . . . . 0.0 110.862 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.53 -26.38 71.88 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 119.566 -0.574 . . . . 0.0 113.478 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.9 mt -73.24 -47.58 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.528 1.164 . . . . 0.0 110.831 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -59.01 3.1 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.295 1.038 . . . . 0.0 112.574 -174.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -68.2 -20.66 64.87 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.8 -45.41 74.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.776 1.23 . . . . 0.0 111.483 169.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.07 -40.26 20.11 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -67.7 -53.08 30.49 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.036 0.834 . . . . 0.0 111.802 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.05 46.64 2.67 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.922 1.725 . . . . 0.0 111.369 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -56.62 -33.81 66.63 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.09 0.945 . . . . 0.0 113.002 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -104.35 14.87 29.4 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.921 1.288 . . . . 0.0 112.022 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.88 12.3 68.85 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.34 1.448 . . . . 0.0 113.675 -172.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -93.3 -163.75 1.09 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 127.153 2.181 . . . . 0.0 115.321 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -58.48 149.91 23.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.234 2.214 . . . . 0.0 115.619 -169.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -74.29 51.69 0.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.395 2.278 . . . . 0.0 114.705 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.1 t -142.77 150.95 40.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.113 1.365 . . . . 0.0 111.51 174.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.19 132.73 56.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.111 1.764 . . . . 0.0 110.045 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -77.88 163.3 26.16 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 168.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -54.86 -28.65 51.61 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.485 -1.384 . . . . 0.0 114.2 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -80.87 -42.45 21.49 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 170.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.41 -34.68 77.23 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.294 1.406 . . . . 0.0 111.333 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.33 -48.62 80.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.121 1.768 . . . . 0.0 110.954 170.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -61.5 -35.82 78.75 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.974 -1.079 . . . . 0.0 112.714 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -63.1 -40.21 96.99 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.716 1.144 . . . . 0.0 111.463 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.1 -53.84 53.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.668 0.667 . . . . 0.0 110.52 170.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.15 -42.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 118.519 0.6 . . . . 0.0 111.897 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.74 -33.7 76.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -86.4 -33.72 20.39 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.68 1.127 . . . . 0.0 113.594 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -83.91 -49.24 9.19 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.172 0.589 . . . . 0.0 112.109 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.4 mt -113.39 38.82 2.77 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.244 1.818 . . . . 0.0 110.461 -173.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.1 m -45.88 116.08 1.13 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.693 2.397 . . . . 0.0 113.995 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.431 ' H ' HD13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -91.63 -14.44 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 125.278 1.431 . . . . 0.0 113.096 169.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.03 177.65 46.21 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.386 1.47 . . . . 0.0 113.284 -175.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -79.87 85.68 5.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.172 0.989 . . . . 0.0 111.234 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -158.55 176.83 11.92 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.018 1.327 . . . . 0.0 113.32 -174.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.63 -8.3 13.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -66.97 -8.93 33.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.922 0.889 . . . . 0.0 112.965 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.05 -25.99 59.59 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.685 -1.26 . . . . 0.0 112.066 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.07 68.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.024 1.33 . . . . 0.0 113.118 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.49 -35.41 34.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.967 0.907 . . . . 0.0 111.15 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -67.72 -39.04 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.966 0.803 . . . . 0.0 111.573 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 m -65.9 -29.97 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.575 1.08 . . . . 0.0 111.72 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.23 -37.31 61.14 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.274 -0.891 . . . . 0.0 111.946 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 tp -63.76 -41.29 98.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.662 0.664 . . . . 0.0 111.069 173.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.31 -38.28 79.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.137 0.975 . . . . 0.0 112.042 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.32 -38.0 89.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.657 1.117 . . . . 0.0 112.761 172.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -72.9 -24.65 60.86 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.233 0.924 . . . . 0.0 113.185 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.51 -47.45 22.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.964 1.706 . . . . 0.0 111.943 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -21.89 63.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.811 2.045 . . . . 0.0 112.956 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -52.11 -34.95 46.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.6 1.56 . . . . 0.0 112.712 170.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.64 -35.84 65.34 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.874 0.869 . . . . 0.0 112.163 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -166.41 129.57 1.97 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.561 1.944 . . . . 0.0 110.436 171.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.86 137.74 43.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.246 1.019 . . . . 0.0 113.105 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 76.88 -43.36 0.44 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.362 3.065 . . . . 0.0 112.837 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -133.58 117.15 16.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.985 1.714 . . . . 0.0 110.079 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.2 t -101.33 104.62 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.332 1.853 . . . . 0.0 108.688 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -78.79 164.87 24.17 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.853 0.835 . . . . 0.0 110.616 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -32.44 68.94 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -170.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -61.2 -49.52 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 119.015 -0.516 . . . . 0.0 111.111 174.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -69.32 -34.34 74.51 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.217 1.007 . . . . 0.0 112.161 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.23 -46.42 89.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.982 0.513 . . . . 0.0 111.592 173.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -74.03 -31.05 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.222 -0.924 . . . . 0.0 111.565 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -58.37 -44.74 89.0 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.023 0.829 . . . . 0.0 110.732 171.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.11 -37.9 88.94 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.472 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.07 -29.01 69.86 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 174.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.91 84.4 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 118.633 0.651 . . . . 0.0 112.298 170.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.22 88.9 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 117.831 0.815 . . . . 0.0 112.712 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.02 -43.89 97.49 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.77 1.628 . . . . 0.0 111.138 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.58 75.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.693 0.797 . . . . 0.0 112.084 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.1 mtp -68.1 -18.5 64.67 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.84 -37.39 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.222 1.374 . . . . 0.0 110.138 169.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -78.97 51.66 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.652 1.581 . . . . 0.0 113.007 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -43.91 -38.58 3.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.08 2.152 . . . . 0.0 115.644 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.93 -29.82 70.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.26 0.937 . . . . 0.0 113.262 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.92 78.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.377 1.471 . . . . 0.0 112.397 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -67.22 -50.07 62.16 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.607 1.163 . . . . 0.0 111.111 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -84.5 -25.05 29.11 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 C-N-CA 126.056 1.789 . . . . 0.0 114.511 175.836 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.516 0.198 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.18 55.13 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.79 1.636 . . . . 0.0 114.52 -173.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -47.27 88.92 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.316 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -53.02 -38.95 80.79 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.932 3.088 . . . . 0.0 114.632 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -73.63 -42.76 61.01 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.455 1.025 . . . . 0.0 111.842 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.84 -40.16 87.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.354 1.462 . . . . 0.0 112.433 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -73.74 -18.8 60.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -50.05 10.85 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 111.62 172.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.2 pt -65.59 -29.24 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 O-C-N 121.019 -1.051 . . . . 0.0 111.738 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.754 1.169 . . . . 0.0 113.32 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.87 66.93 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.797 1.298 . . . . 0.0 109.744 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -40.26 84.63 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.419 1.088 . . . . 0.0 111.279 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.34 -49.22 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.692 0.797 . . . . 0.0 111.433 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.3 73.31 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.208 0.909 . . . . 0.0 113.635 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.11 -50.27 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.67 1.188 . . . . 0.0 111.448 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -70.17 -55.9 8.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.844 1.202 . . . . 0.0 113.201 -171.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -68.37 -22.25 64.66 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.25 -41.87 76.46 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.709 1.603 . . . . 0.0 112.418 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -80.97 -31.18 34.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.412 1.085 . . . . 0.0 112.652 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.8 m -58.91 -45.85 89.3 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.901 -1.125 . . . . 0.0 112.319 173.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.3 -13.06 61.93 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.092 0.854 . . . . 0.0 114.197 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -72.58 -32.52 66.07 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.65 1.225 . . . . 0.0 112.595 176.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -104.28 -8.31 19.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.684 1.194 . . . . 0.0 113.13 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.59 17.24 34.08 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.975 1.274 . . . . 0.0 114.25 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -79.97 146.32 32.12 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.611 1.164 . . . . 0.0 112.177 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -75.87 -39.61 56.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.157 0.983 . . . . 0.0 112.907 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -167.79 39.07 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.507 1.923 . . . . 0.0 112.979 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -140.73 154.84 46.49 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.541 1.936 . . . . 0.0 109.75 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.4 143.05 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.338 1.455 . . . . 0.0 110.053 169.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.9 p -77.02 159.85 29.58 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.385 -0.822 . . . . 0.0 109.928 169.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -55.49 -31.5 62.07 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.548 -1.345 . . . . 0.0 113.266 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 tmpt? -76.64 -42.73 40.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.511 1.124 . . . . 0.0 112.472 173.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -70.48 -31.91 69.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.911 -1.118 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.403 HD11 HD13 ' B' ' 60' ' ' LEU . 2.5 tm? -61.35 -51.77 67.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.612 1.565 . . . . 0.0 111.088 169.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.081 -1.012 . . . . 0.0 112.058 176.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.1 -44.55 95.38 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.995 0.816 . . . . 0.0 112.029 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.81 -49.03 76.59 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.011 0.823 . . . . 0.0 110.69 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.07 -50.28 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.07 0.85 . . . . 0.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -59.42 -39.72 84.41 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 112.344 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -85.86 -38.42 18.11 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -84.88 -47.82 9.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.328 0.967 . . . . 0.0 112.5 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.5 mt -87.38 55.9 3.72 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -26.36 101.13 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 130.584 3.554 . . . . 0.0 113.298 -169.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 tt -76.87 150.75 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.865 1.266 . . . . 0.0 113.04 -169.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.76 157.94 38.38 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.076 0.846 . . . . 0.0 112.619 172.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 41.8 m -78.9 63.46 3.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.901 1.28 . . . . 0.0 111.719 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -157.51 -172.69 4.07 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.554 1.542 . . . . 0.0 113.291 -169.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.1 -6.18 16.42 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.779 2.032 . . . . 0.0 114.716 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -47.49 -34.26 7.22 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.059 1.744 . . . . 0.0 113.738 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.37 -25.22 67.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.41 68.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.559 0.744 . . . . 0.0 112.336 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.73 -37.22 30.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.618 0.767 . . . . 0.0 110.664 170.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.2 mm -65.43 -38.99 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-O 117.825 -1.083 . . . . 0.0 112.025 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -66.55 -28.51 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 120.416 1.462 . . . . 0.0 112.413 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -74.45 -33.97 63.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.316 0.962 . . . . 0.0 112.478 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.78 -37.3 76.31 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.032 -1.043 . . . . 0.0 111.903 171.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -61.44 -40.48 94.62 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.367 1.067 . . . . 0.0 111.577 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.46 -34.13 77.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.5 1.12 . . . . 0.0 112.587 172.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.83 -17.96 52.01 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.149 -0.969 . . . . 0.0 113.395 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.403 HD13 HD11 ' B' ' 34' ' ' LEU . 3.0 mt -80.65 -42.69 21.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.091 1.356 . . . . 0.0 110.209 169.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.49 -30.09 69.49 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.186 1.794 . . . . 0.0 112.533 169.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.01 -29.78 70.51 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.799 1.24 . . . . 0.0 111.81 171.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -81.49 -28.17 34.2 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.71 123.16 3.64 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.452 1.501 . . . . 0.0 112.636 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.79 132.93 49.09 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.396 1.478 . . . . 0.0 114.276 -171.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 76.77 -37.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 129.563 3.145 . . . . 0.0 113.548 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -153.85 128.72 9.49 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.873 1.669 . . . . 0.0 109.994 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.33 118.14 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.085 1.754 . . . . 0.0 109.368 -170.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.35 151.66 30.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.849 1.26 . . . . 0.0 110.855 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -51.32 -39.98 58.09 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -62.02 -43.95 97.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 111.548 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -72.97 -29.53 63.14 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.765 1.226 . . . . 0.0 111.58 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -64.78 -46.14 83.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.987 0.915 . . . . 0.0 110.824 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.39 -35.61 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.203 -0.935 . . . . 0.0 111.912 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.8 m -58.94 -45.53 90.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.571 1.149 . . . . 0.0 110.409 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -64.02 -42.14 97.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.264 0.626 . . . . 0.0 112.26 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.12 -26.23 68.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.378 0.99 . . . . 0.0 112.453 173.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.16 94.49 Favored Glycine 0 N--CA 1.468 0.827 0 C-N-CA 124.324 0.964 . . . . 0.0 112.316 170.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.2 95.1 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 117.943 0.872 . . . . 0.0 112.021 170.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.4 -44.65 92.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.214 1.006 . . . . 0.0 111.697 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.2 96.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.185 0.994 . . . . 0.0 111.754 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.2 ttp -66.74 -31.7 72.52 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.16 -21.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.873 0.869 . . . . 0.0 112.446 171.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -75.87 43.63 0.28 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.259 0.936 . . . . 0.0 112.602 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -44.94 -26.81 0.46 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.933 2.493 . . . . 0.0 116.503 -173.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.99 -32.7 68.14 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 121.428 1.922 . . . . 0.0 112.896 173.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.3 -16.94 62.48 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.302 1.441 . . . . 0.0 113.607 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 73.0 mt -101.57 -10.86 19.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.156 2.182 . . . . 0.0 112.648 176.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -97.9 -37.35 9.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.117 1.367 . . . . 0.0 112.285 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.337 0 C-N-CA 125.769 1.652 . . . . 0.0 114.05 179.194 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -123.65 146.05 48.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.364 1.066 . . . . 0.0 110.838 -170.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -70.58 -7.28 60.8 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.478 1.037 . . . . 0.0 115.123 -172.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.99 -33.56 62.66 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.069 1.348 . . . . 0.0 112.601 174.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.32 4.54 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 125.275 1.43 . . . . 0.0 113.734 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -76.18 -13.29 60.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.515 1.052 . . . . 0.0 113.838 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.45 -30.81 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.508 1.523 . . . . 0.0 109.609 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.73 -33.62 60.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.048 2.139 . . . . 0.0 111.273 171.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.95 -34.49 55.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.83 1.652 . . . . 0.0 112.363 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -52.72 -33.7 49.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.539 1.136 . . . . 0.0 112.433 175.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.98 -35.66 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.26 1.824 . . . . 0.0 111.877 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.84 -40.18 83.45 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.941 -1.099 . . . . 0.0 112.156 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -76.06 -1.24 24.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -92.01 -47.18 7.42 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.78 0.832 . . . . 0.0 110.786 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 67.62 -169.98 36.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.166 1.365 . . . . 0.0 114.376 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -165.33 149.73 8.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.822 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -83.12 -27.14 30.37 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.21 1.404 . . . . 0.0 114.376 -175.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.65 -21.52 19.98 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.309 0.959 . . . . 0.0 113.532 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 44.7 ttm -50.25 -62.95 1.28 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.61 1.164 . . . . 0.0 110.775 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -57.39 -32.52 66.9 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.671 1.189 . . . . 0.0 113.753 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -71.76 -38.31 70.39 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.769 0.827 . . . . 0.0 111.676 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 210' ' ' THR . . . . . 0.471 HG23 ' HE2' ' C' ' 213' ' ' LYS . 51.2 m -82.34 -34.48 28.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.235 1.414 . . . . 0.0 112.829 -178.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.68 -47.54 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.0 0.818 . . . . 0.0 109.101 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.43 -48.95 78.84 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 213' ' ' LYS . . . . . 0.471 ' HE2' HG23 ' C' ' 210' ' ' THR . 11.1 pttt -63.04 -39.31 94.37 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.752 -1.218 . . . . 0.0 112.227 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.63 -31.07 71.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.685 1.194 . . . . 0.0 113.535 174.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -70.16 -45.53 66.53 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.627 0.771 . . . . 0.0 111.527 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.76 -27.37 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -169.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.72 -21.62 66.08 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -170.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 33.8 p -101.41 139.64 36.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.601 1.16 . . . . 0.0 112.5 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 96.8 mtm-85 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.243 1.417 . . . . 0.0 112.519 176.173 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.703 0.287 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -68.95 146.48 52.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.031 1.333 . . . . 0.0 111.463 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -77.58 37.75 1.64 Allowed Glycine 0 N--CA 1.474 1.196 0 C-N-CA 125.543 1.544 . . . . 0.0 115.465 -172.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.49 -48.4 77.22 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 1.141 . . . . 0.0 111.914 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -62.47 -29.15 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.939 1.295 . . . . 0.0 113.105 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -71.63 -18.12 62.22 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.18 -44.3 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.125 1.37 . . . . 0.0 110.01 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.52 -32.89 74.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.021 1.328 . . . . 0.0 112.646 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -64.41 -25.77 68.16 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.177 -0.952 . . . . 0.0 112.958 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -67.35 -19.08 65.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.71 0.804 . . . . 0.0 112.92 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.0 mt -86.77 -46.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.631 1.172 . . . . 0.0 110.073 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.94 -38.26 72.67 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.77 -1.54 9.51 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.54 -19.16 60.98 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.368 1.067 . . . . 0.0 112.962 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 123.39 168.55 13.06 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.312 1.91 . . . . 0.0 113.511 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -160.42 131.75 5.78 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.43 1.492 . . . . 0.0 111.628 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -154.66 -38.48 0.09 Allowed 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -71.92 -25.79 62.04 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.537 1.517 . . . . 0.0 113.662 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 13.7 mmt -55.31 -43.77 75.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.118 0.961 . . . . 0.0 109.663 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -75.28 -17.85 60.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.729 1.612 . . . . 0.0 112.108 -173.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -83.05 -45.24 14.26 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.799 0.84 . . . . 0.0 110.685 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 62.0 m -65.72 -51.56 58.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.908 1.683 . . . . 0.0 111.722 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.11 -35.95 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.337 1.055 . . . . 0.0 110.662 -172.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -57.24 -54.41 47.1 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.632 0.651 . . . . 0.0 111.254 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -63.33 -40.37 97.13 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.203 0.91 . . . . 0.0 111.929 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.79 -30.77 71.83 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -77.93 -40.44 39.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.587 0.755 . . . . 0.0 112.284 169.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 45.0 t -73.97 -36.23 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.2 -11.44 60.73 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -170.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 66.4 m -85.35 -6.79 59.21 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 173.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? . . . . . 0 C--O 1.254 1.309 0 C-N-CA 124.66 1.184 . . . . 0.0 112.021 179.605 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 120.261 0.077 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.62 71.51 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -54.87 -46.93 99.42 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.14 -29.63 39.31 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.948 1.766 . . . . 0.0 113.417 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.8 -43.96 43.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.12 1.327 . . . . 0.0 111.279 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.77 -35.35 80.32 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.477 1.111 . . . . 0.0 111.954 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.36 -33.07 69.23 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 119.158 -0.448 . . . . 0.0 112.159 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.79 59.59 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.87 1.214 . . . . 0.0 112.597 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.5 pt -64.36 -33.65 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.109 0.868 . . . . 0.0 111.091 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -27.15 72.66 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.744 1.164 . . . . 0.0 113.468 173.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -52.82 56.59 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.965 1.306 . . . . 0.0 109.994 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.03 -41.25 91.82 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.146 0.979 . . . . 0.0 111.891 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.78 -42.68 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.268 0.486 . . . . 0.0 110.274 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.03 -37.57 73.57 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.35 0.976 . . . . 0.0 113.116 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mt -64.78 -39.67 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.679 0.792 . . . . 0.0 111.522 172.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.01 -58.75 3.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.601 1.16 . . . . 0.0 113.219 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.23 -23.21 64.78 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -66.48 -28.5 68.63 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -81.1 -38.88 26.55 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.251 1.02 . . . . 0.0 113.407 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -58.44 -14.61 8.14 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 -172.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.54 -8.23 86.42 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.778 -1.012 . . . . 0.0 114.835 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -74.92 -45.24 43.91 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.488 1.644 . . . . 0.0 112.387 177.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -158.71 -11.81 0.07 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 -173.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.13 -144.97 4.31 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.913 1.721 . . . . 0.0 113.168 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -149.49 -167.13 2.74 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.816 0.847 . . . . 0.0 112.399 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.26 -27.87 62.46 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.634 1.573 . . . . 0.0 115.123 -169.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -140.58 21.19 2.36 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 t -151.93 143.65 23.63 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.21 -0.931 . . . . 0.0 113.038 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.61 151.67 24.06 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.453 1.901 . . . . 0.0 110.756 172.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -79.64 159.1 26.88 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 109.21 167.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -61.73 -35.1 77.1 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 119.825 -1.797 . . . . 0.0 112.851 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.78 -38.71 64.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.958 1.303 . . . . 0.0 112.616 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.46 -40.85 96.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.705 1.202 . . . . 0.0 110.946 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.08 -42.87 99.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.222 1.409 . . . . 0.0 110.495 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -58.15 -34.2 70.01 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.382 -1.449 . . . . 0.0 111.73 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -72.22 -37.93 69.1 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.379 1.071 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.0 -53.53 54.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.985 0.914 . . . . 0.0 109.625 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -58.71 -48.34 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.427 0.691 . . . . 0.0 112.002 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.91 -31.68 72.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.566 -0.73 . . . . 0.0 112.371 -175.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.9 -45.9 11.08 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.446 1.021 . . . . 0.0 113.273 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.56 -47.96 10.04 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.084 0.553 . . . . 0.0 111.746 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -84.62 -49.49 8.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.162 -0.923 . . . . 0.0 109.564 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 109.53 168.01 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 130.844 3.658 . . . . 0.0 112.509 169.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.7 mm -121.75 128.8 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 126.149 1.78 . . . . 0.0 108.759 172.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.64 -36.3 9.57 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.734 1.159 . . . . 0.0 111.913 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.3 p -155.99 147.07 22.31 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.958 1.303 . . . . 0.0 111.347 170.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -66.27 -6.76 15.0 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.54 -1.35 . . . . 0.0 114.561 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.29 -22.48 66.85 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.054 0.942 . . . . 0.0 111.661 169.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -74.99 -15.07 60.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.805 1.242 . . . . 0.0 113.182 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.78 -33.01 72.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.784 -1.197 . . . . 0.0 112.579 -172.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.27 68.16 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.398 1.479 . . . . 0.0 112.979 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -80.6 -38.12 29.95 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.383 1.073 . . . . 0.0 110.883 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.84 -40.07 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.236 -0.915 . . . . 0.0 112.006 176.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HA ' ' HG2' ' A' ' 57' ' ' MET . 30.0 m -66.12 -28.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.031 0.832 . . . . 0.0 112.664 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.53 -38.01 59.66 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.27 0.486 . . . . 0.0 111.84 169.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.43 -47.22 84.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.337 -0.852 . . . . 0.0 111.361 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 14.7 ptt? -67.93 -30.05 69.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.541 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.37 -33.13 71.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.421 1.088 . . . . 0.0 112.588 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -72.39 -26.52 61.91 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.254 1.022 . . . . 0.0 112.355 172.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.83 -42.3 24.6 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.298 1.439 . . . . 0.0 112.225 170.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.91 -4.4 12.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.175 2.19 . . . . 0.0 113.022 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -57.06 -19.47 19.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.245 1.418 . . . . 0.0 113.016 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.39 -45.04 84.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.196 0.999 . . . . 0.0 113.055 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -174.59 141.28 0.65 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.616 2.766 . . . . 0.0 109.655 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -52.92 -0.14 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.996 2.918 . . . . 0.0 118.365 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -125.98 -10.48 6.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.892 1.677 . . . . 0.0 114.025 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -160.18 159.35 31.51 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -169.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.9 t -116.88 100.3 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 127.291 2.236 . . . . 0.0 107.618 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.82 147.29 35.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.13 0.572 . . . . 0.0 111.475 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -53.06 -42.78 66.14 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.653 1.181 . . . . 0.0 114.008 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.16 -39.07 93.61 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.67 0.668 . . . . 0.0 111.723 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.97 -39.26 72.63 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.601 0.76 . . . . 0.0 111.223 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -58.66 -44.58 90.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.352 1.061 . . . . 0.0 112.049 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.3 mm -65.59 -44.54 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.106 0.866 . . . . 0.0 111.19 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.9 m -57.97 -43.81 86.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.152 0.981 . . . . 0.0 111.305 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -67.76 -36.5 80.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.05 1.74 . . . . 0.0 112.686 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.97 -27.36 68.09 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.907 0.776 . . . . 0.0 111.495 169.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.23 -33.4 68.92 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.629 1.109 . . . . 0.0 112.205 169.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.79 76.32 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.104 0.952 . . . . 0.0 111.354 171.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.95 -47.19 78.05 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.148 0.886 . . . . 0.0 110.884 170.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.63 80.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.348 1.059 . . . . 0.0 113.433 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -70.6 -39.03 74.03 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.811 1.244 . . . . 0.0 112.403 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.29 -31.3 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.918 1.287 . . . . 0.0 111.044 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -76.26 45.35 0.37 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.005 1.722 . . . . 0.0 110.799 169.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.49 -20.62 8.06 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 117.726 2.491 . . . . 0.0 117.726 -168.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.73 -25.86 68.4 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.827 2.103 . . . . 0.0 112.065 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.03 -23.07 66.48 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.175 0.99 . . . . 0.0 113.506 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -97.21 1.37 49.67 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.203 1.801 . . . . 0.0 112.037 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -100.82 17.43 22.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.526 1.53 . . . . 0.0 113.041 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 C-N-CA 125.965 1.745 . . . . 0.0 114.613 177.772 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.13 46.85 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -50.25 -41.75 68.23 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -171.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.37 -33.05 71.4 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.332 2.688 . . . . 0.0 113.143 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.4 tp -76.6 -42.99 40.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.36 0.527 . . . . 0.0 110.507 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -59.28 -40.27 85.56 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.949 . . . . 0.0 112.323 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -72.97 -24.31 60.76 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.52 -46.13 17.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.335 0.97 . . . . 0.0 112.189 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -62.33 -34.91 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.524 1.056 . . . . 0.0 110.348 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -23.97 68.67 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 125.39 1.471 . . . . 0.0 114.112 172.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -52.07 29.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.353 1.077 . . . . 0.0 110.224 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.81 -41.92 87.93 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.457 1.103 . . . . 0.0 111.585 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.33 -42.65 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.666 0.667 . . . . 0.0 110.648 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.86 -45.66 81.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.96 0.791 . . . . 0.0 113.028 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -60.41 -45.6 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.194 0.998 . . . . 0.0 111.261 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.97 -52.17 38.98 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.66 0.784 . . . . 0.0 112.373 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -72.04 -26.34 62.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.72 -38.79 67.51 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.791 0.836 . . . . 0.0 111.045 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -83.58 -43.79 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.5 p -67.59 -37.1 82.09 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.739 1.608 . . . . 0.0 112.687 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.7 0.66 89.25 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.839 1.209 . . . . 0.0 114.151 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -32.47 74.19 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.418 1.609 . . . . 0.0 113.435 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.81 4.13 42.62 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.696 1.198 . . . . 0.0 112.947 172.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 15.41 76.96 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.696 1.141 . . . . 0.0 114.51 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.38 -159.4 0.48 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -76.23 -175.54 3.22 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.668 1.987 . . . . 0.0 112.922 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -76.55 49.57 0.62 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.084 1.754 . . . . 0.0 112.454 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -137.82 153.75 49.6 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.976 1.71 . . . . 0.0 111.588 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -126.4 142.09 51.66 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.785 1.234 . . . . 0.0 110.733 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.1 p -79.27 159.67 27.16 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.374 -0.829 . . . . 0.0 109.171 168.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.27 -27.46 67.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.403 -1.435 . . . . 0.0 113.103 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -76.55 -42.12 44.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.151 1.38 . . . . 0.0 113.076 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.13 -32.87 72.55 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.92 -1.112 . . . . 0.0 111.53 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.5 tm? -62.41 -44.73 95.73 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.469 1.108 . . . . 0.0 109.929 169.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -58.48 -35.97 73.03 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.191 -0.943 . . . . 0.0 111.845 173.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.71 -43.51 88.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.726 0.81 . . . . 0.0 111.95 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.6 -52.53 61.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.298 1.039 . . . . 0.0 110.432 169.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -65.38 -46.4 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 118.606 -0.711 . . . . 0.0 112.451 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.18 -12.15 61.05 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.886 1.221 . . . . 0.0 112.899 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -85.56 -53.53 5.12 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.778 1.172 . . . . 0.0 111.2 169.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -78.77 -48.78 14.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.04 0.536 . . . . 0.0 112.423 -173.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.3 34.73 2.1 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.222 1.809 . . . . 0.0 110.204 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -49.72 136.57 17.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.037 2.135 . . . . 0.0 112.521 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mt -118.97 123.14 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.343 1.457 . . . . 0.0 109.547 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.25 131.1 38.67 Favored Glycine 0 CA--C 1.531 1.089 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 27.2 m 68.13 3.18 3.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 126.066 1.747 . . . . 0.0 113.879 -174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp 61.12 27.47 17.26 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.873 2.069 . . . . 0.0 114.835 173.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -74.87 168.1 20.57 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.142 -0.973 . . . . 0.0 110.41 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 65.81 -2.65 0.85 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.931 2.092 . . . . 0.0 113.564 -170.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -21.71 66.45 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.204 -1.56 . . . . 0.0 113.047 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.22 -30.67 71.26 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.842 1.257 . . . . 0.0 112.351 169.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.72 -29.83 32.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.229 1.012 . . . . 0.0 110.873 171.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.5 mm -70.41 -39.0 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.103 -0.998 . . . . 0.0 111.943 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.98 -23.57 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.303 0.956 . . . . 0.0 112.359 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -78.39 -40.47 36.0 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.189 169.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.45 -46.31 80.41 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.715 1.143 . . . . 0.0 111.983 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -25.69 65.82 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.207 0.912 . . . . 0.0 112.47 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.87 -31.78 51.56 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.75 1.22 . . . . 0.0 113.03 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.36 -29.45 66.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.66 1.184 . . . . 0.0 111.746 170.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.21 -45.94 62.27 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.573 1.149 . . . . 0.0 110.537 168.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.89 -15.78 45.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.0 1.72 . . . . 0.0 113.741 174.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -59.35 -29.38 67.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 112.306 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -77.66 -36.8 51.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.038 0.935 . . . . 0.0 112.87 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -159.04 129.77 6.02 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.283 1.833 . . . . 0.0 110.663 169.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.58 136.88 39.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.467 1.107 . . . . 0.0 113.455 -169.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 76.32 -36.6 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 129.813 3.245 . . . . 0.0 111.996 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -139.05 126.25 21.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.605 1.962 . . . . 0.0 109.731 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 52.2 t -105.86 128.53 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.835 2.054 . . . . 0.0 108.779 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.78 155.17 24.37 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.932 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -44.55 -46.09 9.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.616 1.566 . . . . 0.0 114.866 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -62.71 -38.43 90.39 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.127 -0.983 . . . . 0.0 111.68 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -75.67 -33.11 60.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.502 1.121 . . . . 0.0 111.363 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -63.09 -44.41 95.78 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.928 0.891 . . . . 0.0 111.63 171.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.05 -43.13 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.068 -1.02 . . . . 0.0 110.676 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.5 m -57.31 -45.41 84.25 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.074 0.949 . . . . 0.0 110.983 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.36 -36.41 79.18 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.654 0.782 . . . . 0.0 112.65 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.29 -26.26 68.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.058 1.299 . . . . 0.0 111.58 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.1 -38.09 83.11 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 118.884 0.765 . . . . 0.0 112.309 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.26 86.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.446 1.123 . . . . 0.0 111.769 170.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.49 -42.29 91.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.091 1.356 . . . . 0.0 111.441 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.43 -31.95 69.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.692 1.197 . . . . 0.0 112.902 172.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 84.4 mtp -74.43 -24.8 59.13 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 28.3 mm -66.55 -33.04 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 120.185 1.357 . . . . 0.0 111.527 169.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -72.62 55.1 0.36 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.908 1.283 . . . . 0.0 112.719 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -47.6 -38.79 15.26 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.337 2.255 . . . . 0.0 115.008 -170.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.74 -30.81 71.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.899 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.05 -24.59 66.0 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.97 -1.081 . . . . 0.0 112.313 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.5 mt -100.53 15.4 28.11 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.272 2.229 . . . . 0.0 112.164 172.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -111.73 -43.91 3.56 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.584 1.554 . . . . 0.0 111.029 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.446 0 C-N-CA 125.799 1.666 . . . . 0.0 113.268 178.872 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.295 0.093 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -164.21 160.89 21.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.376 1.87 . . . . 0.0 111.265 -176.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 173.47 -176.51 46.09 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.717 1.151 . . . . 0.0 113.593 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.49 -36.19 61.42 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.773 1.229 . . . . 0.0 113.246 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -57.4 -31.89 66.28 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.688 1.195 . . . . 0.0 112.517 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -78.7 -16.43 57.27 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 48.4 t -88.13 -37.49 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 125.123 1.369 . . . . 0.0 109.497 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.17 -28.48 65.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.589 1.956 . . . . 0.0 112.406 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -54.07 -34.07 59.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.927 1.291 . . . . 0.0 112.428 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -21.91 66.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.426 1.091 . . . . 0.0 112.803 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.65 -43.93 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.243 1.417 . . . . 0.0 110.112 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -52.42 -43.53 64.87 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.064 0.946 . . . . 0.0 112.545 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.65 -5.09 46.43 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -86.71 -22.2 26.18 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.156 0.982 . . . . 0.0 112.717 175.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 149.73 160.06 9.01 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.899 1.237 . . . . 0.0 114.742 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -159.49 37.17 0.2 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.665 1.986 . . . . 0.0 111.072 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.88 -30.52 69.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.21 1.404 . . . . 0.0 114.671 -170.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -82.28 -15.13 54.09 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.72 -47.04 76.69 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.977 1.262 . . . . 0.0 109.593 169.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -54.46 -35.53 63.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.954 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -80.85 -47.11 14.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.727 1.611 . . . . 0.0 112.713 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 9.9 m -83.26 -35.88 24.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.664 0.786 . . . . 0.0 112.729 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.63 -38.18 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.727 0.694 . . . . 0.0 110.593 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.05 -54.63 38.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.491 0.716 . . . . 0.0 111.403 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.06 -47.65 77.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.919 -1.113 . . . . 0.0 113.028 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.59 71.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -71.11 -49.05 48.41 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.735 0.698 . . . . 0.0 111.579 170.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.1 -44.09 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 125.943 1.697 . . . . 0.0 111.949 -175.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.88 -8.42 52.71 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.374 1.869 . . . . 0.0 113.941 -173.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 61.1 m -123.02 11.52 9.56 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.961 1.305 . . . . 0.0 114.318 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 124.935 1.294 . . . . 0.0 112.859 178.179 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.186 0.041 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -72.95 156.48 38.81 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.925 1.29 . . . . 0.0 112.361 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 171.29 110.19 0.23 Allowed Glycine 0 N--CA 1.469 0.899 0 C-N-CA 123.992 0.805 . . . . 0.0 113.408 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.72 -33.91 70.75 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.551 1.141 . . . . 0.0 113.06 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.7 ptp -57.19 -30.0 64.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.735 1.214 . . . . 0.0 113.856 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.12 -19.65 64.85 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.043 -1.035 . . . . 0.0 113.22 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.16 -45.61 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.226 1.411 . . . . 0.0 110.036 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.97 -30.74 67.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.769 1.227 . . . . 0.0 113.248 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -59.01 -34.57 72.03 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.97 0.804 . . . . 0.0 111.472 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -63.29 -21.69 66.41 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 30.5 mm -81.65 -32.35 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.72 1.208 . . . . 0.0 111.303 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -74.7 -34.68 62.66 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.327 -0.858 . . . . 0.0 111.352 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -73.15 -1.58 18.12 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.753 1.621 . . . . 0.0 113.855 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.29 -13.35 55.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.967 1.307 . . . . 0.0 112.688 170.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 122.51 153.99 8.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.254 1.883 . . . . 0.0 113.273 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -166.18 139.89 4.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.952 1.701 . . . . 0.0 111.057 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -143.19 -55.53 0.4 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.321 1.049 . . . . 0.0 112.711 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.53 -25.83 68.43 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 33.5 tpp -58.3 -51.88 67.94 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.17 0.588 . . . . 0.0 110.981 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . 0.294 0.0 OUTLIER -69.87 -18.41 63.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.669 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.38 -36.04 63.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.112 1.323 . . . . 0.0 112.015 169.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.4 m -73.18 -52.33 14.53 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.812 1.645 . . . . 0.0 111.091 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.41 -39.42 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 122.818 0.447 . . . . 0.0 111.752 -173.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -58.16 -57.4 13.03 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.402 -0.811 . . . . 0.0 111.457 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.99 -37.43 82.43 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.41 -0.806 . . . . 0.0 112.621 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.94 -20.19 61.79 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -89.73 -44.26 10.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.141 0.976 . . . . 0.0 111.571 169.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 53.4 t -74.89 -15.08 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.836 1.254 . . . . 0.0 113.311 -169.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.94 -5.33 0.95 Allowed 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 50.2 m -66.38 -12.19 55.53 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.719 -1.238 . . . . 0.0 114.061 169.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.178 1.791 . . . . 0.0 113.498 -177.358 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.42 5.71 0.73 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -174.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -39.02 -47.92 3.88 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -169.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.35 -39.63 21.86 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.418 2.078 . . . . 0.0 113.898 -174.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -81.66 -38.52 25.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.854 0.461 . . . . 0.0 111.634 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.24 -37.36 74.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.749 1.22 . . . . 0.0 112.994 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -71.41 -30.49 66.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.673 -0.642 . . . . 0.0 112.71 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.33 46.64 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.471 1.032 . . . . 0.0 112.465 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 pt -64.54 -36.02 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.474 1.034 . . . . 0.0 110.85 170.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -28.89 64.64 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.002 1.287 . . . . 0.0 113.521 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -55.64 16.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.135 0.974 . . . . 0.0 110.598 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.46 -42.18 82.05 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.816 1.246 . . . . 0.0 111.634 176.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.535 HD11 ' HB1' ' B' ' 81' ' ' ALA . 57.0 mt -62.89 -45.54 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.303 178.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.67 -36.03 62.18 Favored Glycine 0 N--CA 1.469 0.843 0 C-N-CA 123.457 0.551 . . . . 0.0 113.097 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 mt -63.52 -43.24 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.792 0.837 . . . . 0.0 111.048 172.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -71.92 -55.59 7.21 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.711 0.804 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -67.34 -24.28 65.7 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -70.39 -28.91 65.45 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.369 -0.832 . . . . 0.0 112.88 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -81.96 -22.57 36.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -61.01 -17.01 49.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 0.69 70.87 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.633 1.111 . . . . 0.0 115.11 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -70.79 -45.15 65.21 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.639 1.719 . . . . 0.0 113.113 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -161.66 -23.6 0.05 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.7 -169.35 44.98 Favored Glycine 0 CA--C 1.537 1.429 0 CA-C-N 119.667 1.121 . . . . 0.0 114.135 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.01 148.18 52.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.983 0.913 . . . . 0.0 111.586 169.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -51.07 -23.27 2.94 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.048 1.739 . . . . 0.0 115.66 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -127.56 22.45 6.42 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.29 175.26 7.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.575 1.55 . . . . 0.0 111.322 175.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 mt -134.67 130.87 37.0 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.533 1.133 . . . . 0.0 109.923 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.2 t -76.8 152.34 35.58 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.687 -0.633 . . . . 0.0 109.972 169.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.49 -32.36 68.72 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 119.663 -1.898 . . . . 0.0 113.592 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -67.49 -46.1 73.93 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.533 1.533 . . . . 0.0 112.329 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.11 -35.93 82.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.645 1.978 . . . . 0.0 111.291 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.86 -42.88 84.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.703 1.601 . . . . 0.0 110.757 169.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -59.39 -39.53 83.67 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.544 -1.348 . . . . 0.0 111.89 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.52 -43.83 98.16 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.422 0.689 . . . . 0.0 111.985 173.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.24 -55.8 27.22 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.982 0.81 . . . . 0.0 110.57 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.96 -46.1 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.891 0.769 . . . . 0.0 111.608 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.548 HE22 HG22 ' A' ' 44' ' ' ILE . 30.8 mm-40 -73.73 -20.95 60.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.592 1.087 . . . . 0.0 113.871 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -87.9 -45.35 10.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.333 1.424 . . . . 0.0 114.415 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.04 -48.35 11.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.738 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -83.27 -64.45 1.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 76.19 139.41 0.07 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 130.561 3.544 . . . . 0.0 112.404 -177.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.548 HG22 HE22 ' A' ' 39' ' ' GLN . 0.7 OUTLIER -119.51 -8.15 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.32 1.048 . . . . 0.0 112.291 169.769 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 -141.98 33.67 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.658 1.123 . . . . 0.0 112.374 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 p -78.94 -1.19 34.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.474 1.51 . . . . 0.0 113.873 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -62.29 142.41 57.76 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.721 1.209 . . . . 0.0 112.736 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.95 -11.73 49.65 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.95 -10.06 8.65 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.286 1.434 . . . . 0.0 113.387 174.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.73 -26.64 64.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 120.588 1.54 . . . . 0.0 112.133 169.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.63 70.1 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.029 0.932 . . . . 0.0 112.602 170.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.93 -33.12 30.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.396 1.078 . . . . 0.0 111.059 170.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.17 -42.14 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 119.151 0.887 . . . . 0.0 112.109 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.87 -24.84 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.38 0.991 . . . . 0.0 112.116 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -79.08 -35.23 42.77 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.196 0.907 . . . . 0.0 111.831 169.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.04 -39.39 93.28 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.583 1.083 . . . . 0.0 112.363 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -27.59 68.29 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.602 1.092 . . . . 0.0 112.208 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.06 -25.13 47.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -74.26 -37.91 63.6 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.706 1.203 . . . . 0.0 111.825 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.26 -38.1 87.99 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.263 1.025 . . . . 0.0 110.722 169.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -80.36 -6.76 58.51 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.17 66.75 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.638 -1.289 . . . . 0.0 112.197 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.2 -15.04 59.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 112.664 170.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -118.82 -143.72 0.36 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.539 2.336 . . . . 0.0 111.893 -169.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -158.68 1.16 0.09 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 175.01 -41.98 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.098 2.559 . . . . 0.0 111.121 -174.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -147.24 147.89 30.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.039 1.336 . . . . 0.0 112.131 -169.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.85 128.7 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.01 2.124 . . . . 0.0 110.911 -172.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -79.3 156.93 27.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.587 1.155 . . . . 0.0 111.367 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -48.38 -40.92 27.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.44 -38.22 84.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.17 -0.956 . . . . 0.0 111.846 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.92 -33.63 64.03 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.511 0.724 . . . . 0.0 111.993 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.1 -40.15 92.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.132 0.973 . . . . 0.0 111.49 170.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mm -63.68 -48.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.643 0.777 . . . . 0.0 111.348 171.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.9 m -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.326 0.966 . . . . 0.0 111.848 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -67.37 -39.6 85.7 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.033 0.933 . . . . 0.0 112.317 175.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.0 mt -65.94 -27.51 68.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.61 1.096 . . . . 0.0 111.605 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.77 85.09 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.913 0.768 . . . . 0.0 112.164 169.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.77 50.59 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.189 0.994 . . . . 0.0 110.962 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -53.64 -44.25 69.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.95 1.3 . . . . 0.0 111.418 178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -60.18 -32.18 70.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.134 1.373 . . . . 0.0 113.093 174.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.4 ttt -79.71 -32.61 41.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.125 0.97 . . . . 0.0 112.853 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.24 -31.67 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.306 0.957 . . . . 0.0 110.452 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -71.56 45.84 0.11 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.697 1.999 . . . . 0.0 111.998 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -53.66 -23.6 11.81 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.904 2.882 . . . . 0.0 117.086 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.29 -23.44 62.86 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.892 1.678 . . . . 0.0 111.933 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.36 69.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.793 0.837 . . . . 0.0 112.592 170.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.64 -38.81 47.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.46 1.104 . . . . 0.0 110.973 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -63.57 -50.44 69.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.213 1.405 . . . . 0.0 111.927 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 C-N-CA 125.253 1.406 . . . . 0.0 113.62 179.037 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.5 tpp . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.27 -21.17 8.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -169.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.36 -48.66 34.46 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -66.35 -37.51 23.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 123.395 2.73 . . . . 0.0 113.448 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 tp -73.96 -42.5 60.41 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.956 0.798 . . . . 0.0 110.676 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.24 -34.64 78.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.79 1.236 . . . . 0.0 112.623 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -74.93 -27.99 60.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 169.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.88 -46.95 27.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.574 1.079 . . . . 0.0 112.2 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.7 pt -63.62 -31.92 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.691 0.678 . . . . 0.0 110.921 170.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.6 -24.65 73.96 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 118.915 -0.936 . . . . 0.0 114.146 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -50.69 53.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.925 1.362 . . . . 0.0 109.939 174.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.95 -41.72 92.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.5 0.72 . . . . 0.0 112.105 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.526 HD11 ' HB1' ' A' ' 81' ' ' ALA . 79.0 mt -67.54 -42.28 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.589 0.632 . . . . 0.0 110.617 175.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.2 -43.18 95.81 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-N 118.595 0.634 . . . . 0.0 112.835 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -59.67 -40.95 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.416 1.086 . . . . 0.0 111.472 173.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -68.25 -47.57 67.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.206 0.602 . . . . 0.0 111.304 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -69.71 -23.0 63.35 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -54.44 -53.5 53.31 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.416 1.007 . . . . 0.0 110.139 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -83.13 -40.43 19.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.788 1.635 . . . . 0.0 114.207 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.9 p -69.42 -37.25 77.36 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.868 -1.145 . . . . 0.0 112.085 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.23 79.21 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.433 1.016 . . . . 0.0 113.86 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -67.34 -35.11 78.72 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.512 1.156 . . . . 0.0 111.914 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.64 -25.69 23.41 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.253 1.021 . . . . 0.0 112.946 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.3 14.13 64.58 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.258 0.932 . . . . 0.0 113.198 -170.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.76 -31.75 57.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.377 1.471 . . . . 0.0 111.952 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttp 68.16 -65.71 0.25 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.107 2.563 . . . . 0.0 115.177 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -108.84 16.43 22.74 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.993 1.317 . . . . 0.0 113.799 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -151.52 164.12 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.365 1.866 . . . . 0.0 111.203 175.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -131.17 138.51 49.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.718 1.607 . . . . 0.0 110.945 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.6 m -80.42 152.96 28.55 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 168.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -53.22 -40.08 64.23 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.537 -1.352 . . . . 0.0 113.69 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -63.5 -34.42 77.74 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -76.67 -36.49 57.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.136 0.974 . . . . 0.0 111.259 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.23 -38.77 90.48 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.926 0.89 . . . . 0.0 109.8 169.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -60.76 -43.59 97.82 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.587 -1.321 . . . . 0.0 112.382 173.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.86 -42.53 98.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.797 0.839 . . . . 0.0 111.494 174.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.96 -55.47 32.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.193 0.997 . . . . 0.0 110.758 172.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.33 -49.51 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.845 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.77 -27.54 68.36 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.004 0.82 . . . . 0.0 113.073 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.54 -43.54 12.63 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -85.5 -29.94 23.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.227 0.921 . . . . 0.0 113.142 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.62 79.95 1.27 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.35 1.46 . . . . 0.0 107.941 170.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.7 p -61.56 135.36 57.62 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.742 1.617 . . . . 0.0 112.449 -171.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -128.39 132.54 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.077 1.751 . . . . 0.0 109.379 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.59 -120.14 4.39 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 125.625 1.583 . . . . 0.0 111.032 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -72.13 -3.8 25.33 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.548 1.139 . . . . 0.0 113.352 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.69 54.4 1.22 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.658 1.983 . . . . 0.0 112.147 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -58.89 123.66 17.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.757 1.223 . . . . 0.0 111.566 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -155.03 23.95 0.43 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.233 1.813 . . . . 0.0 111.707 177.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.91 -26.12 68.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.967 -1.083 . . . . 0.0 112.561 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -26.81 68.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.704 1.201 . . . . 0.0 113.389 169.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -81.66 -37.76 26.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.035 0.934 . . . . 0.0 110.319 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.9 mm -60.05 -44.02 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.414 -0.804 . . . . 0.0 111.788 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -65.09 -32.01 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.059 0.845 . . . . 0.0 112.739 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -74.35 -29.83 61.75 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.781 0.719 . . . . 0.0 111.902 171.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.76 -36.21 81.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.949 -1.094 . . . . 0.0 112.103 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 29.4 mtm -59.06 -42.71 90.97 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.728 1.149 . . . . 0.0 111.397 171.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.35 -27.9 66.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.823 1.249 . . . . 0.0 112.317 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -81.01 -27.45 35.84 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.69 -44.86 69.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.832 0.853 . . . . 0.0 110.124 169.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.89 -5.51 51.23 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.035 1.734 . . . . 0.0 113.857 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -56.58 -28.55 60.5 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.889 -1.132 . . . . 0.0 111.696 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -73.98 -9.68 58.88 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.289 1.436 . . . . 0.0 113.428 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -144.8 -123.53 0.08 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.111 1.764 . . . . 0.0 111.398 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -171.96 1.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -175.51 -49.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 111.286 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.43 145.73 35.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 112.113 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -96.41 96.4 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.066 1.746 . . . . 0.0 106.699 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.03 171.63 14.95 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.916 0.886 . . . . 0.0 110.95 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.15 -56.88 10.37 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.11 -31.5 71.14 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.352 1.433 . . . . 0.0 112.296 -169.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -73.78 -29.01 61.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.11 0.964 . . . . 0.0 112.199 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -65.79 -42.86 90.24 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.474 1.034 . . . . 0.0 110.977 169.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mm -61.89 -47.75 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.274 0.63 . . . . 0.0 110.685 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.4 m -60.91 -41.95 97.12 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.77 1.228 . . . . 0.0 111.473 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.83 -40.17 94.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.763 0.825 . . . . 0.0 112.109 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.18 -22.09 66.64 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.862 0.756 . . . . 0.0 112.195 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.81 54.8 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.437 1.017 . . . . 0.0 112.466 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.91 99.9 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.282 1.041 . . . . 0.0 111.828 172.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.54 -45.38 85.15 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.78 1.232 . . . . 0.0 111.124 173.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -63.34 -37.94 89.23 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.294 1.438 . . . . 0.0 113.545 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 98.1 mtp -68.06 -38.32 82.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.114 0.87 . . . . 0.0 112.747 172.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.5 mt -67.24 -26.66 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.59 0.756 . . . . 0.0 111.055 174.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -75.61 49.26 0.49 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.329 1.451 . . . . 0.0 111.365 169.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -45.14 -31.22 1.34 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.215 2.606 . . . . 0.0 116.875 -169.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.26 -29.18 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.467 1.485 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.31 -22.64 64.7 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.758 -1.214 . . . . 0.0 112.849 173.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.74 21.32 9.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.319 1.848 . . . . 0.0 111.541 173.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -139.7 -44.5 0.44 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.158 1.383 . . . . 0.0 112.364 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 C-N-CA 126.451 1.977 . . . . 0.0 113.032 173.277 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.425 0.155 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -163.41 156.69 19.05 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.551 1.941 . . . . 0.0 111.602 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -90.65 160.3 27.62 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 124.398 0.999 . . . . 0.0 112.503 175.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -52.92 -33.46 50.73 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.089 1.356 . . . . 0.0 113.017 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -55.36 -29.24 58.01 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.882 1.273 . . . . 0.0 112.504 -178.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.17 -17.02 63.16 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.64 -38.59 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 125.128 1.371 . . . . 0.0 109.268 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.23 -32.75 74.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.523 1.529 . . . . 0.0 112.004 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.69 -33.54 68.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.788 1.235 . . . . 0.0 112.729 169.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.99 -23.49 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.976 -1.078 . . . . 0.0 112.376 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.54 -37.8 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.956 1.303 . . . . 0.0 110.69 175.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.58 -40.36 87.16 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.464 0.706 . . . . 0.0 111.76 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.31 -0.91 15.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.463 1.505 . . . . 0.0 113.815 173.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.15 2.59 16.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.072 1.749 . . . . 0.0 112.901 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.27 -166.84 37.11 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.233 1.397 . . . . 0.0 113.776 -175.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -139.13 159.76 41.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.747 1.619 . . . . 0.0 111.17 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.51 -4.6 40.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.7 -19.42 58.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.694 1.198 . . . . 0.0 113.91 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 26.0 ptp -58.12 -47.59 82.81 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.146 0.884 . . . . 0.0 110.299 170.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -64.7 -34.7 78.92 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.775 1.63 . . . . 0.0 111.013 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.11 -24.21 65.0 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.606 0.762 . . . . 0.0 112.302 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 29.8 m -94.2 -39.3 10.62 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.606 1.162 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.6 mm -55.48 -43.82 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.571 0.748 . . . . 0.0 110.402 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -55.22 -55.32 32.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.509 0.724 . . . . 0.0 112.11 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -58.3 -43.66 88.18 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.31 -0.869 . . . . 0.0 112.738 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.3 79.25 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.624 0.647 . . . . 0.0 112.66 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -42.18 76.15 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.644 0.778 . . . . 0.0 111.795 174.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 45.7 t -60.61 -40.47 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 124.663 1.185 . . . . 0.0 111.858 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -68.6 -3.13 10.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.104 1.762 . . . . 0.0 114.377 -174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.8 m -72.54 -15.26 61.77 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.698 -1.251 . . . . 0.0 113.147 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 . . . . . 0 C--O 1.255 1.35 0 C-N-CA 125.784 1.633 . . . . 0.0 113.197 -178.229 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -74.3 -40.05 62.52 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.816 0.846 . . . . 0.0 112.375 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 81.14 163.32 30.29 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 125.067 1.318 . . . . 0.0 113.928 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.16 -30.64 70.52 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.525 1.13 . . . . 0.0 113.371 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -51.5 -33.91 33.55 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.181 1.793 . . . . 0.0 112.827 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.14 -8.64 57.47 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -96.64 -39.02 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.663 1.585 . . . . 0.0 109.072 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.2 -41.23 92.53 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.208 1.803 . . . . 0.0 110.952 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -51.18 -42.51 60.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.595 1.558 . . . . 0.0 112.727 172.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -58.49 -27.55 64.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.765 0.826 . . . . 0.0 113.105 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.5 mm -90.94 -34.96 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.272 1.429 . . . . 0.0 110.468 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -63.05 -38.46 91.27 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.098 -1.002 . . . . 0.0 112.121 172.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.86 -0.29 20.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.263 1.025 . . . . 0.0 113.731 176.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -108.09 -45.94 3.85 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.969 1.308 . . . . 0.0 112.399 170.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -123.69 120.82 4.28 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.646 1.593 . . . . 0.0 113.582 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -175.96 117.95 0.14 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.892 2.477 . . . . 0.0 109.521 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -163.56 -53.72 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.816 0.847 . . . . 0.0 113.116 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.77 -26.04 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.312 -0.867 . . . . 0.0 112.177 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.4 tpp -51.57 -56.06 15.63 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 124.599 1.16 . . . . 0.0 109.594 168.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.5 -35.12 71.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.38 1.072 . . . . 0.0 112.469 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -68.98 -42.09 77.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.62 0.645 . . . . 0.0 111.807 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 22.2 m -73.88 -38.43 64.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.361 1.064 . . . . 0.0 111.756 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.29 -43.53 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.16 -48.07 82.95 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.075 0.852 . . . . 0.0 111.553 172.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -57.58 -45.3 85.41 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.36 -0.838 . . . . 0.0 112.945 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.66 64.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -75.7 -49.9 16.96 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.315 0.646 . . . . 0.0 111.208 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.08 -40.36 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 122.026 0.917 . . . . 0.0 112.585 -169.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.58 -26.69 65.62 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 113.711 -1.586 . . . . 0.0 112.461 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 58.3 m -103.67 16.19 27.01 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.421 1.488 . . . . 0.0 114.282 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 C-N-CA 124.968 1.307 . . . . 0.0 114.192 174.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -20.57 49.35 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 118.234 2.679 . . . . 0.0 118.234 -169.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -52.2 -37.23 40.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 N-CA-C 116.922 2.194 . . . . 0.0 116.922 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -66.12 -36.93 27.27 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.064 2.509 . . . . 0.0 113.52 177.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.26 -37.73 28.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.014 0.824 . . . . 0.0 111.895 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.25 -42.51 86.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.133 1.373 . . . . 0.0 111.487 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -69.96 -19.06 63.38 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.69 10.32 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.329 0.968 . . . . 0.0 112.264 171.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 pt -64.69 -32.72 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.274 0.943 . . . . 0.0 112.219 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.75 -23.32 78.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 119.488 -0.618 . . . . 0.0 113.553 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -52.64 62.59 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 1.144 . . . . 0.0 109.66 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.57 -38.59 78.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.599 1.16 . . . . 0.0 111.47 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.42 -51.35 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.755 0.822 . . . . 0.0 112.073 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.16 76.2 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 123.904 0.764 . . . . 0.0 113.348 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mt -75.11 -42.05 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.37 1.068 . . . . 0.0 111.995 169.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -68.62 -57.19 6.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.822 0.849 . . . . 0.0 112.648 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -68.81 -20.35 64.32 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' C' ' 215' ' ' TRP . 35.8 ttmt -59.17 -40.88 86.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.784 1.234 . . . . 0.0 111.197 169.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.34 -25.81 33.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 m -61.8 -41.88 98.31 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.323 1.419 . . . . 0.0 110.739 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.51 -4.69 9.95 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.841 1.686 . . . . 0.0 114.816 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -66.51 -24.23 66.36 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.671 1.235 . . . . 0.0 111.788 169.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -118.74 -30.71 5.03 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.932 0.893 . . . . 0.0 112.42 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.17 -154.99 26.0 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-N 119.012 0.824 . . . . 0.0 114.429 174.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -74.68 104.24 5.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.589 1.156 . . . . 0.0 111.406 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -159.45 143.67 15.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.576 1.55 . . . . 0.0 112.751 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -94.0 24.29 4.37 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.17 1.388 . . . . 0.0 113.289 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.9 t -146.38 148.46 32.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.705 2.002 . . . . 0.0 109.848 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tp -120.3 131.77 55.04 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.739 1.615 . . . . 0.0 110.104 -172.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 t -78.4 151.36 32.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.58 -0.7 . . . . 0.0 111.814 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -60.22 -36.04 76.81 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.398 -2.064 . . . . 0.0 114.054 -171.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -79.84 -29.82 40.22 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.561 -1.337 . . . . 0.0 112.992 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.21 -38.65 91.12 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.646 1.578 . . . . 0.0 110.34 171.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.7 tm? -63.53 -45.1 92.14 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.533 1.933 . . . . 0.0 110.209 169.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -59.17 -36.73 75.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.561 -1.337 . . . . 0.0 111.96 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.69 -42.31 86.67 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.726 0.811 . . . . 0.0 111.81 173.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.06 -53.08 60.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.053 0.941 . . . . 0.0 110.438 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.96 -45.83 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.778 0.717 . . . . 0.0 111.468 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -66.03 -25.02 66.86 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.608 1.095 . . . . 0.0 113.59 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.9 -59.08 2.4 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.405 1.002 . . . . 0.0 113.003 170.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -3.63 58.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -136.14 49.64 2.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.21 2.204 . . . . 0.0 107.274 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -38.62 124.9 1.37 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 130.009 3.324 . . . . 0.0 113.487 -169.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -101.84 134.08 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.569 1.148 . . . . 0.0 109.686 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.29 42.95 2.21 Favored Glycine 0 N--CA 1.476 1.306 0 C-N-CA 125.006 1.288 . . . . 0.0 114.209 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 m 61.14 25.09 15.13 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.374 1.87 . . . . 0.0 114.375 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.66 170.1 15.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.463 1.505 . . . . 0.0 113.159 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.55 -1.95 17.94 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.546 1.538 . . . . 0.0 113.952 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -53.54 -24.68 14.14 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.491 1.916 . . . . 0.0 113.466 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.57 -24.96 64.17 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.018 -1.051 . . . . 0.0 113.219 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.04 -29.56 69.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.384 1.074 . . . . 0.0 112.767 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -81.25 -33.02 33.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.688 0.795 . . . . 0.0 110.509 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.1 -42.38 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.22 -0.925 . . . . 0.0 112.114 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -64.32 -30.34 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 120.364 1.438 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -76.53 -35.99 57.97 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.089 0.859 . . . . 0.0 112.995 171.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.57 -34.24 77.45 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.175 -0.953 . . . . 0.0 111.928 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 ttp -60.11 -41.64 93.0 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.199 1.4 . . . . 0.0 111.21 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.25 -37.18 86.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.363 1.065 . . . . 0.0 112.541 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -72.91 -17.76 61.48 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 172.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -81.3 -46.69 14.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.766 1.227 . . . . 0.0 110.62 169.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.09 -22.77 61.34 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.51 1.524 . . . . 0.0 113.066 170.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -59.37 -22.97 62.14 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 113.162 172.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -73.32 -45.59 54.48 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.57 -0.706 . . . . 0.0 111.885 173.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -161.59 137.13 7.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.589 1.556 . . . . 0.0 112.379 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.98 126.85 28.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.623 1.569 . . . . 0.0 113.504 -173.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 74.26 -44.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 129.399 3.08 . . . . 0.0 113.447 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.24 139.19 50.8 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.363 1.065 . . . . 0.0 111.962 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.11 126.08 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 127.346 2.258 . . . . 0.0 109.007 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -76.84 154.61 33.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.806 -0.559 . . . . 0.0 110.85 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -46.85 -46.05 20.67 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.91 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.087 -1.008 . . . . 0.0 111.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.48 -34.35 72.28 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.631 1.172 . . . . 0.0 111.567 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.35 -44.66 87.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.686 1.594 . . . . 0.0 111.567 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.18 -44.02 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.411 1.005 . . . . 0.0 110.29 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.2 m -59.03 -46.71 87.53 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.709 1.203 . . . . 0.0 111.176 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -66.63 -37.06 84.06 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.843 0.457 . . . . 0.0 112.206 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.22 -29.08 69.26 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.39 0.995 . . . . 0.0 112.388 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.59 86.6 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.109 0.862 . . . . 0.0 112.817 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.13 85.17 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.111 0.956 . . . . 0.0 112.056 170.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.62 -40.84 88.9 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.303 1.441 . . . . 0.0 111.477 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.38 -29.97 71.03 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.077 0.951 . . . . 0.0 113.492 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 tpt -74.22 -27.71 60.92 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.994 0.918 . . . . 0.0 112.922 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.9 mm -54.93 -40.67 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 110.721 169.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' HA ' ' CZ ' ' D' ' 200' ' ' TYR . 9.8 m-30 -76.52 42.93 0.3 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.416 1.886 . . . . 0.0 113.616 -171.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.95 -13.62 2.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.816 2.847 . . . . 0.0 117.027 -169.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.92 -31.91 72.26 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 120.558 1.526 . . . . 0.0 111.096 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.39 53.46 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.1 mt -90.78 8.73 33.2 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.533 1.933 . . . . 0.0 112.286 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -146.17 -18.13 0.44 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.423 1.889 . . . . 0.0 114.133 175.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 127.575 2.512 . . . . 0.0 113.394 169.786 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 119.175 -0.441 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 -53.52 47.32 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.204 1.927 . . . . 0.0 116.204 -170.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.6 p -54.98 -34.75 26.88 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -169.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -69.11 -33.57 18.77 Favored 'Trans proline' 0 C--N 1.356 0.944 0 CA-C-N 123.595 2.32 . . . . 0.0 113.202 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.55 -46.35 39.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.338 1.427 . . . . 0.0 110.521 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.32 -36.05 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.415 0.686 . . . . 0.0 112.406 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -74.76 -30.23 61.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.416 -0.802 . . . . 0.0 112.703 172.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.75 68.16 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.783 1.174 . . . . 0.0 112.172 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.86 -27.36 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.129 -0.982 . . . . 0.0 111.964 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.77 -35.36 79.85 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.526 1.06 . . . . 0.0 112.766 170.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -47.81 83.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.311 1.444 . . . . 0.0 110.758 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.87 -36.96 82.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.043 0.937 . . . . 0.0 112.07 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.56 -44.67 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.234 0.924 . . . . 0.0 110.925 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.39 95.9 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.28 0.943 . . . . 0.0 113.323 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -36.28 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 117.877 0.839 . . . . 0.0 111.477 172.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.62 -51.03 9.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.017 0.927 . . . . 0.0 112.801 -173.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.27 -25.87 63.55 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -55.17 -42.03 72.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.261 1.024 . . . . 0.0 111.518 169.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -82.3 -36.12 27.29 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.652 1.181 . . . . 0.0 113.701 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 96.6 p -66.48 -39.57 88.83 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.981 -1.074 . . . . 0.0 111.711 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.74 -19.77 73.54 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.944 1.259 . . . . 0.0 114.424 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -64.1 -44.37 92.49 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.975 1.387 . . . . 0.0 111.354 170.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -85.32 -16.95 38.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.795 1.238 . . . . 0.0 112.417 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.18 16.5 43.76 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.558 1.551 . . . . 0.0 113.649 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -87.0 142.56 27.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 112.813 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -75.07 -35.17 61.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -171.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -163.69 19.6 0.07 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -174.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.9 p -126.61 153.23 45.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.175 1.39 . . . . 0.0 112.505 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 140.37 50.9 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.966 1.306 . . . . 0.0 108.534 169.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -78.11 162.3 26.76 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.799 -0.563 . . . . 0.0 109.696 169.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -56.89 -33.88 67.33 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.792 -1.193 . . . . 0.0 112.885 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -68.85 -41.87 77.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.695 1.198 . . . . 0.0 112.838 170.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -75.21 -26.34 58.9 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.128 -0.982 . . . . 0.0 111.884 -176.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -45.94 86.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.086 0.954 . . . . 0.0 109.546 169.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -59.61 -40.92 89.12 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.181 -0.949 . . . . 0.0 111.534 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.35 -51.37 69.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.961 0.904 . . . . 0.0 111.775 171.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.27 -50.72 64.25 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.134 0.973 . . . . 0.0 111.211 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.11 -47.85 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 118.368 0.531 . . . . 0.0 111.456 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.94 -19.02 59.11 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.43 -51.2 6.06 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.006 1.276 . . . . 0.0 113.051 169.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.55 -43.44 13.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.464 0.575 . . . . 0.0 111.876 -169.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.2 mt -83.89 -36.88 23.05 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.576 0.626 . . . . 0.0 110.724 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 68.28 26.63 6.84 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.331 1.853 . . . . 0.0 111.191 171.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 tt -68.27 -23.66 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.242 1.817 . . . . 0.0 114.092 -170.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.05 16.7 1.07 Allowed Glycine 0 CA--C 1.539 1.542 0 C-N-CA 126.139 1.828 . . . . 0.0 115.133 175.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 62.8 p -66.25 -2.19 4.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.393 1.877 . . . . 0.0 115.532 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -153.79 28.45 0.48 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.914 1.286 . . . . 0.0 114.039 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 70.8 mt 66.47 38.6 4.19 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.534 1.934 . . . . 0.0 114.35 169.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -104.2 15.21 28.88 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 173.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.06 -28.44 64.55 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.678 -1.264 . . . . 0.0 113.54 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.48 -28.79 68.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.017 1.327 . . . . 0.0 112.878 171.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -80.31 -37.22 33.09 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.171 0.988 . . . . 0.0 110.477 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.08 -39.07 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.22 -0.925 . . . . 0.0 112.279 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.77 -27.6 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.183 0.901 . . . . 0.0 112.606 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -76.09 -35.69 59.25 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.078 0.854 . . . . 0.0 112.595 171.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.29 -39.66 95.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.901 0.773 . . . . 0.0 111.346 169.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -62.25 -38.94 91.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.468 1.107 . . . . 0.0 111.384 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.51 -39.48 94.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.173 0.989 . . . . 0.0 112.463 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -72.37 -20.34 61.47 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.984 1.265 . . . . 0.0 113.995 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.05 -46.14 17.08 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.691 1.197 . . . . 0.0 110.836 169.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.94 -35.47 75.01 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.347 1.059 . . . . 0.0 112.813 173.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -57.37 -27.54 62.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.05 2.14 . . . . 0.0 113.095 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -83.5 -7.14 59.59 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.119 0.968 . . . . 0.0 113.343 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -147.44 -135.72 0.08 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.825 1.65 . . . . 0.0 111.429 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -160.59 100.71 1.32 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.455 1.102 . . . . 0.0 110.175 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 74.04 -28.27 0.19 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.563 2.745 . . . . 0.0 112.91 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.65 144.22 50.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.636 1.974 . . . . 0.0 107.877 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 127.48 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.05 1.74 . . . . 0.0 107.794 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -78.99 158.03 28.01 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.08 0.552 . . . . 0.0 111.523 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -49.15 -44.54 42.79 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.154 1.382 . . . . 0.0 114.528 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -62.64 -43.32 99.1 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.632 -0.667 . . . . 0.0 111.657 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.87 -31.19 63.04 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.77 0.828 . . . . 0.0 111.877 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -60.57 -46.12 91.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 110.745 169.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.2 -35.09 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.067 -1.021 . . . . 0.0 111.988 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.9 m -56.13 -44.6 79.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 110.526 173.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.01 -37.74 81.79 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 173.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.11 -20.6 59.02 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.738 1.153 . . . . 0.0 112.289 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.94 -39.54 93.32 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-N 119.892 1.224 . . . . 0.0 112.648 169.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.86 71.23 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.453 1.126 . . . . 0.0 112.157 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.4 -45.03 92.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.298 0.639 . . . . 0.0 111.368 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.83 74.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 0.0 112.177 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.3 mtp -69.67 -20.85 63.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 172.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -69.34 -26.74 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 120.01 1.277 . . . . 0.0 112.204 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -78.3 53.0 1.19 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.989 1.316 . . . . 0.0 111.24 169.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -53.42 -36.36 61.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.771 1.628 . . . . 0.0 114.567 -169.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -62.24 -30.88 71.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.653 0.781 . . . . 0.0 112.901 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.81 63.14 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.253 -0.904 . . . . 0.0 112.51 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.96 -42.58 63.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.275 1.03 . . . . 0.0 110.282 172.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -73.19 -35.71 66.42 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.466 0.707 . . . . 0.0 112.808 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.214 0 C-N-CA 125.979 1.752 . . . . 0.0 114.307 177.827 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -134.2 160.62 37.3 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.054 1.742 . . . . 0.0 111.574 -176.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 79.07 -178.15 53.78 Favored Glycine 0 N--CA 1.471 1.003 0 C-N-CA 125.034 1.302 . . . . 0.0 113.443 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.62 -34.34 72.65 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.991 -0.711 . . . . 0.0 112.747 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.4 -27.41 64.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.867 1.267 . . . . 0.0 112.59 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -63.76 -24.66 67.85 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.91 -36.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.028 1.731 . . . . 0.0 109.702 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.78 -28.86 66.1 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.569 1.548 . . . . 0.0 111.914 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -55.36 -27.22 45.9 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.946 -1.096 . . . . 0.0 113.115 172.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -71.96 -10.83 60.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.19 0.996 . . . . 0.0 113.538 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 21.8 mt -99.63 -25.26 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.506 2.322 . . . . 0.0 111.156 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -51.95 -42.83 63.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.46 -3.34 46.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.321 1.449 . . . . 0.0 114.0 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -101.36 -36.62 8.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.632 1.573 . . . . 0.0 111.695 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -85.87 16.15 43.61 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.499 1.523 . . . . 0.0 114.197 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.63 154.69 35.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.306 1.443 . . . . 0.0 114.012 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 21.0 t70 72.03 -31.66 0.23 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 129.336 3.054 . . . . 0.0 115.674 171.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -85.05 -22.0 29.18 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.993 1.27 . . . . 0.0 113.587 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.35 -48.94 79.6 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.66 0.784 . . . . 0.0 111.65 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -62.27 -30.98 71.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.884 -1.135 . . . . 0.0 113.07 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -77.64 -24.05 49.56 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.261 1.024 . . . . 0.0 111.641 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 54.1 m -78.25 -52.89 7.98 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.569 1.948 . . . . 0.0 110.79 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.21 -35.76 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.2 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -55.27 -58.97 5.52 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.236 0.925 . . . . 0.0 112.018 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.72 -38.45 91.14 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.966 -1.084 . . . . 0.0 112.794 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.84 -38.08 84.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.663 0.785 . . . . 0.0 112.839 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 215' ' ' TRP . . . . . 0.464 ' HA ' ' HE2' ' A' ' 18' ' ' LYS . 4.5 t-105 -71.47 -38.54 71.23 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.695 -0.628 . . . . 0.0 111.741 177.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 45.2 t -71.15 -30.88 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.85 1.26 . . . . 0.0 114.071 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -2.47 8.49 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -169.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 5.5 p -87.44 -9.8 53.67 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 119.786 -1.821 . . . . 0.0 114.134 172.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.184 0 C-N-CA 125.792 1.637 . . . . 0.0 112.174 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -72.49 154.29 40.92 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.127 0.971 . . . . 0.0 111.783 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 104.66 -148.29 16.62 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.633 1.587 . . . . 0.0 112.583 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.02 -32.08 63.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 11.3 mmt -53.1 -33.81 53.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.418 1.087 . . . . 0.0 112.56 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.11 -19.18 64.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.7 t -97.0 -40.35 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.153 1.381 . . . . 0.0 108.553 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.95 -34.86 78.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.895 1.678 . . . . 0.0 112.035 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.01 -29.42 70.26 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 112.836 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -65.78 -26.82 67.88 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.647 -1.283 . . . . 0.0 112.427 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 9.8 mm -79.0 -39.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.888 1.275 . . . . 0.0 110.837 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 200' ' ' TYR . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 84' ' ' TYR . 1.9 t80 -58.52 -36.78 74.36 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.289 -0.882 . . . . 0.0 112.731 173.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.13 -3.02 4.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.03 1.332 . . . . 0.0 114.556 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -108.51 -47.65 3.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.524 1.53 . . . . 0.0 110.401 168.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 64.43 -156.4 45.71 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.514 1.53 . . . . 0.0 116.413 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -159.16 145.6 16.73 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.359 1.864 . . . . 0.0 111.234 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.7 -41.64 21.03 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -73.49 -25.77 60.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.46 -56.51 16.32 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.328 1.051 . . . . 0.0 109.865 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -63.99 -25.72 68.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.83 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -69.43 -37.51 77.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.708 1.595 . . . . 0.0 111.813 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 96.9 m -68.97 -42.85 76.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.306 1.442 . . . . 0.0 111.45 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.21 -51.11 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.094 0.558 . . . . 0.0 110.927 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -56.8 -50.12 73.32 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.672 0.669 . . . . 0.0 112.112 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.18 -35.24 80.16 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.18 89.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.309 0.958 . . . . 0.0 112.427 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -68.4 -36.22 78.81 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.452 -0.78 . . . . 0.0 111.879 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.32 -36.25 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.322 1.049 . . . . 0.0 111.861 171.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.49 -32.25 69.69 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.367 1.067 . . . . 0.0 111.819 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 8.3 t -77.77 -10.35 59.5 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.155 1.382 . . . . 0.0 114.358 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.804 1.642 . . . . 0.0 113.499 -174.084 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 119.868 -0.111 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.88 -43.46 0.56 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.24 3.016 . . . . 0.0 114.703 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -59.22 -29.98 6.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -66.76 -36.56 23.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.234 1.956 . . . . 0.0 112.62 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -78.17 -40.13 38.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.759 0.709 . . . . 0.0 110.967 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.09 -42.96 73.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.193 1.397 . . . . 0.0 112.531 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.49 -22.1 60.24 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.09 -47.69 14.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.809 0.844 . . . . 0.0 112.187 174.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.4 pt -63.61 -33.65 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.146 -0.971 . . . . 0.0 110.992 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.07 71.81 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.693 1.14 . . . . 0.0 113.729 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -49.6 58.0 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.868 1.334 . . . . 0.0 110.058 174.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.2 -39.94 84.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.369 1.068 . . . . 0.0 111.379 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.93 -48.37 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.066 0.848 . . . . 0.0 110.873 171.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.91 -24.84 73.12 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.478 1.037 . . . . 0.0 113.703 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.21 -47.43 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.079 1.352 . . . . 0.0 111.362 169.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.08 -55.93 5.82 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -69.81 -23.91 63.39 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -169.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -50.2 -44.6 53.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.94 1.296 . . . . 0.0 111.711 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -80.91 -30.81 35.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.684 1.194 . . . . 0.0 113.027 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -64.52 -31.92 73.34 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.353 -0.842 . . . . 0.0 112.868 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.34 -9.28 79.79 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.98 1.276 . . . . 0.0 113.964 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -71.47 -38.93 71.21 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.085 1.443 . . . . 0.0 112.86 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -156.36 154.68 30.93 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.216 1.406 . . . . 0.0 111.176 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.9 -151.56 35.64 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 123.833 0.73 . . . . 0.0 112.898 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.7 157.43 44.4 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.52 1.528 . . . . 0.0 111.893 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt 75.29 163.15 0.26 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.621 2.368 . . . . 0.0 113.423 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 61.24 2.11 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.044 1.737 . . . . 0.0 113.536 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -131.96 157.93 42.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.503 1.921 . . . . 0.0 111.209 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 99.0 mt -126.69 133.37 50.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.325 1.85 . . . . 0.0 108.327 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.2 p -79.2 175.15 10.85 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.61 -0.681 . . . . 0.0 112.666 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -31.68 63.54 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 175.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -80.6 -46.35 15.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.387 -0.821 . . . . 0.0 111.39 169.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.69 -30.4 71.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.807 0.731 . . . . 0.0 112.956 -174.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -50.25 69.85 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.562 -0.711 . . . . 0.0 110.46 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.25 -30.11 71.31 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.217 -0.927 . . . . 0.0 112.692 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.66 -49.27 75.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.942 0.897 . . . . 0.0 110.57 173.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.35 -52.99 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.718 0.807 . . . . 0.0 110.796 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.76 -49.02 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.899 0.772 . . . . 0.0 111.625 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.25 -27.59 64.57 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.477 1.035 . . . . 0.0 112.766 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -87.16 -38.85 16.05 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.62 -51.86 5.66 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 111.851 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.83 68.96 10.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.497 1.119 . . . . 0.0 109.086 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 p -76.06 73.48 2.92 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.099 1.76 . . . . 0.0 112.098 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.7 pt -71.59 5.27 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 126.735 2.014 . . . . 0.0 114.235 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.92 158.83 24.46 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 126.242 1.877 . . . . 0.0 112.617 -175.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 t -79.96 102.9 9.49 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.126 -0.632 . . . . 0.0 110.511 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -160.7 143.23 12.85 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.616 1.567 . . . . 0.0 111.381 -174.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.7 tp -79.29 110.01 14.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.62 0.768 . . . . 0.0 111.251 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -155.23 21.9 0.42 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.803 1.241 . . . . 0.0 112.904 174.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.88 -26.55 64.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.62 -1.3 . . . . 0.0 113.151 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -27.94 68.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 113.268 170.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -80.79 -41.35 23.52 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.351 1.061 . . . . 0.0 110.318 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.3 mm -70.02 -33.5 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.84 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.96 -29.93 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 119.962 1.255 . . . . 0.0 112.089 171.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -76.19 -36.28 58.72 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.438 1.017 . . . . 0.0 111.88 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.14 -42.79 99.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.713 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -60.8 -37.9 83.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.033 0.933 . . . . 0.0 111.672 172.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.59 -31.85 70.25 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.515 1.126 . . . . 0.0 113.207 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -74.09 -26.26 60.27 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.181 -0.95 . . . . 0.0 112.673 171.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.92 -56.43 5.72 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 110.105 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -66.23 -18.23 65.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.215 2.206 . . . . 0.0 114.375 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -22.13 4.79 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.429 1.492 . . . . 0.0 112.459 169.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.77 -8.2 59.11 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -144.8 -98.63 0.1 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 120.398 1.454 . . . . 0.0 114.058 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.71 -55.64 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.959 1.254 . . . . 0.0 113.78 -169.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -157.05 27.75 0.31 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.005 1.722 . . . . 0.0 111.685 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.64 169.01 20.81 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.263 1.825 . . . . 0.0 111.814 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.63 122.84 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.585 1.154 . . . . 0.0 110.281 169.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.38 163.05 20.83 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.513 173.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.15 -44.93 71.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -63.07 -45.34 92.63 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.699 0.681 . . . . 0.0 110.665 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -71.75 -34.89 69.87 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.89 1.276 . . . . 0.0 111.404 -173.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.21 -39.43 82.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.174 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 mt -74.57 -36.52 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.15 -0.968 . . . . 0.0 112.326 175.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -54.21 -42.34 69.66 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.942 1.246 . . . . 0.0 111.443 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -69.32 -39.32 78.3 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.57 -20.65 64.91 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 172.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.08 96.32 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 119.479 1.036 . . . . 0.0 111.927 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.67 -36.66 65.36 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.982 0.891 . . . . 0.0 112.382 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.01 -35.43 79.91 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.496 0.589 . . . . 0.0 111.657 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.25 76.72 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.509 0.724 . . . . 0.0 110.688 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.61 -29.71 69.39 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.109 1.364 . . . . 0.0 114.02 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 tp -59.4 -31.55 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.12 0.873 . . . . 0.0 112.527 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -77.1 54.3 1.04 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.063 1.345 . . . . 0.0 111.695 169.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -52.5 -26.57 13.38 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -173.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -79.64 -18.07 52.31 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.073 1.306 . . . . 0.0 113.688 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -40.82 64.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.558 1.143 . . . . 0.0 109.347 169.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.72 -28.8 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.171 1.388 . . . . 0.0 112.273 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -65.21 -34.81 79.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.887 0.875 . . . . 0.0 112.597 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.895 1.712 . . . . 0.0 111.969 -177.31 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 119.31 -0.376 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.71 -22.78 37.17 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -57.17 -34.19 24.24 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.199 1.926 . . . . 0.0 116.199 -174.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.55 -36.58 52.88 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.317 2.678 . . . . 0.0 113.01 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.41 -40.22 44.33 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.95 0.796 . . . . 0.0 111.191 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -59.9 -39.9 86.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.948 0.899 . . . . 0.0 112.232 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -73.93 -22.3 59.72 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.17 -49.83 13.09 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.781 1.173 . . . . 0.0 112.298 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.38 -32.21 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.126 0.876 . . . . 0.0 111.294 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.32 -22.81 74.85 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.198 1.38 . . . . 0.0 113.903 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -48.01 61.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.166 1.483 . . . . 0.0 109.847 175.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.89 -39.85 90.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.956 0.902 . . . . 0.0 111.416 175.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.67 -44.8 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.61 0.641 . . . . 0.0 110.769 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 -28.48 73.81 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.355 0.978 . . . . 0.0 113.775 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.3 mt -79.23 -48.46 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.634 1.174 . . . . 0.0 112.004 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -77.53 -52.27 9.33 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.975 0.91 . . . . 0.0 113.004 -170.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.99 -19.38 60.67 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.662 -0.649 . . . . 0.0 112.666 -172.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.12 -41.17 96.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.76 0.824 . . . . 0.0 109.781 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -34.13 35.67 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -174.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -67.38 -5.64 15.46 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.6 -7.34 84.59 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 118.835 -0.981 . . . . 0.0 114.59 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -77.38 -42.8 35.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.481 1.641 . . . . 0.0 112.449 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -138.86 -28.98 0.79 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.017 1.327 . . . . 0.0 113.511 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.92 -156.19 9.61 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.958 1.266 . . . . 0.0 113.41 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.83 -51.62 0.05 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.701 1.2 . . . . 0.0 112.343 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -86.81 -162.64 0.8 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.316 1.046 . . . . 0.0 112.032 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -73.88 50.52 0.36 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.31 1.844 . . . . 0.0 113.571 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t -150.6 152.97 34.87 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.684 1.594 . . . . 0.0 111.093 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -121.29 143.77 48.99 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.801 1.641 . . . . 0.0 109.9 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.0 m -77.2 154.74 32.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.624 -1.297 . . . . 0.0 109.314 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -56.14 -40.28 73.55 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.083 -1.636 . . . . 0.0 113.953 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -78.44 -22.52 47.52 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -68.49 -43.49 76.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.018 1.327 . . . . 0.0 109.801 171.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.408 ' C ' HD13 ' B' ' 34' ' ' LEU . 1.9 tm? -62.01 -44.89 95.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.249 1.42 . . . . 0.0 111.313 169.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -55.93 -40.23 72.82 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.169 -0.957 . . . . 0.0 111.347 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.09 -43.68 81.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 117.96 -1.019 . . . . 0.0 112.162 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.81 -52.53 40.32 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.929 1.24 . . . . 0.0 110.582 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.86 -46.88 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 118.6 -0.714 . . . . 0.0 111.599 -175.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -78.17 -11.17 59.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -88.79 -53.56 4.56 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.356 0.98 . . . . 0.0 112.171 169.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -88.68 -40.4 13.31 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.423 1.489 . . . . 0.0 114.109 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.23 23.49 11.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.901 1.68 . . . . 0.0 112.367 -169.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -43.12 126.28 3.93 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 128.499 2.72 . . . . 0.0 113.68 -169.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 pt -98.36 166.22 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.883 1.273 . . . . 0.0 111.323 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.49 158.57 35.52 Favored Glycine 0 N--CA 1.473 1.146 0 C-N-CA 124.544 1.068 . . . . 0.0 114.605 -170.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -78.45 22.11 0.35 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -172.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -73.5 -176.84 2.43 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.44 1.896 . . . . 0.0 112.471 169.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 47.2 tp -71.18 102.97 2.65 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.924 0.889 . . . . 0.0 109.029 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.1 -13.68 0.22 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.94 1.296 . . . . 0.0 114.447 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -61.32 -35.81 78.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.612 -1.305 . . . . 0.0 112.204 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.74 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.084 1.353 . . . . 0.0 113.382 171.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -81.73 -38.57 25.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.791 0.836 . . . . 0.0 110.907 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.81 -41.77 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 111.66 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.62 -25.84 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.905 1.23 . . . . 0.0 112.296 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -78.2 -32.21 49.89 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.433 1.015 . . . . 0.0 112.968 170.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.41 -40.73 85.6 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.867 -1.146 . . . . 0.0 111.593 170.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.68 -42.85 97.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.641 1.576 . . . . 0.0 111.254 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.15 -43.02 96.06 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.957 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.8 -45.3 93.27 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.968 1.258 . . . . 0.0 112.168 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.31 -41.97 97.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.139 1.375 . . . . 0.0 112.352 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.25 -41.12 90.43 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.161 1.384 . . . . 0.0 112.807 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -70.39 -20.98 62.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.393 1.877 . . . . 0.0 112.737 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.14 -28.91 64.62 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.509 0.724 . . . . 0.0 112.031 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -107.03 -129.36 0.28 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.94 1.696 . . . . 0.0 109.925 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.13 -17.97 0.57 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -174.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -172.8 -32.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.198 1.399 . . . . 0.0 112.067 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.15 141.63 51.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.096 1.759 . . . . 0.0 106.51 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.7 t -84.27 102.42 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.448 1.899 . . . . 0.0 108.854 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -78.29 149.55 33.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.513 0.725 . . . . 0.0 111.759 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -53.52 -40.55 65.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.273 1.429 . . . . 0.0 114.777 -175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -71.49 -35.46 70.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.849 1.204 . . . . 0.0 111.999 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.56 -34.79 67.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.942 0.897 . . . . 0.0 111.791 175.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.79 -45.41 93.97 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.856 1.263 . . . . 0.0 111.404 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.4 mt -68.47 -38.21 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 118.672 -0.68 . . . . 0.0 111.495 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 67.5 m -58.73 -45.4 89.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.255 0.934 . . . . 0.0 111.0 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.08 -42.27 99.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.67 0.788 . . . . 0.0 111.96 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.81 -23.15 67.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.258 0.935 . . . . 0.0 112.89 173.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.6 64.94 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 119.434 1.015 . . . . 0.0 112.701 170.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.43 71.41 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.134 0.967 . . . . 0.0 112.204 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.52 -41.73 92.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.77 0.828 . . . . 0.0 110.642 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.77 71.68 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.327 1.051 . . . . 0.0 112.048 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.2 ttm -72.81 -31.8 65.08 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.513 1.125 . . . . 0.0 113.136 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 tp -61.97 -28.39 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -174.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -62.84 -17.14 60.98 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 67.63 -59.8 0.4 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 129.238 3.015 . . . . 0.0 114.698 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.99 -33.8 76.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.704 1.202 . . . . 0.0 111.673 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.49 72.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.028 0.931 . . . . 0.0 113.008 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.99 15.62 18.34 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -121.3 -39.74 2.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.798 1.239 . . . . 0.0 112.948 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.273 0 C-N-CA 125.411 1.482 . . . . 0.0 113.578 -178.763 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -99.59 0.28 41.84 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.427 1.091 . . . . 0.0 113.854 -169.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -63.15 -21.67 64.21 Favored Glycine 0 N--CA 1.474 1.193 0 C-N-CA 124.481 1.038 . . . . 0.0 113.861 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.99 -65.24 0.72 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.033 1.333 . . . . 0.0 109.019 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -53.52 -32.16 49.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.923 1.289 . . . . 0.0 112.215 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.07 -20.49 62.65 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 70.4 t -96.75 -35.54 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 120.18 1.354 . . . . 0.0 109.59 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.18 -31.86 66.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.277 1.831 . . . . 0.0 112.257 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.54 -28.57 68.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.324 1.049 . . . . 0.0 112.86 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -64.78 -21.74 66.84 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.541 1.136 . . . . 0.0 112.937 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.96 -48.04 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.068 1.347 . . . . 0.0 110.581 170.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -51.41 -41.46 60.76 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.694 1.198 . . . . 0.0 113.799 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -81.74 -2.75 51.73 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.814 1.246 . . . . 0.0 113.606 -175.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -110.87 -38.46 5.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 113.387 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.28 151.41 51.77 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.827 1.203 . . . . 0.0 114.08 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.83 154.53 41.21 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.018 1.327 . . . . 0.0 113.366 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -79.33 36.41 0.3 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.931 2.092 . . . . 0.0 113.41 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -71.92 -34.27 68.94 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.731 -1.23 . . . . 0.0 113.387 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 54.6 ttm -62.89 -47.0 85.2 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.697 0.68 . . . . 0.0 110.55 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -11.3 32.94 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -89.77 -44.04 10.26 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.391 0.996 . . . . 0.0 111.185 169.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.5 m -69.7 -37.92 76.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.502 1.521 . . . . 0.0 112.99 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.33 -39.72 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.824 0.849 . . . . 0.0 111.773 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.06 -48.81 78.99 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.944 0.793 . . . . 0.0 111.362 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.05 -49.4 78.04 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.328 -0.857 . . . . 0.0 111.656 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.85 68.98 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -79.79 -43.1 23.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.799 0.84 . . . . 0.0 111.686 172.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 42.4 t -73.55 -30.49 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.981 0.912 . . . . 0.0 113.149 -173.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.14 -2.31 12.63 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 5.0 m -68.78 -13.69 62.56 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.469 1.108 . . . . 0.0 113.437 172.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.612 1.965 . . . . 0.0 113.803 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.555 0.205 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -158.63 142.66 15.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.255 1.422 . . . . 0.0 110.304 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -80.54 142.3 23.64 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.232 0.92 . . . . 0.0 112.339 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.83 -25.55 63.31 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.293 1.037 . . . . 0.0 113.768 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.41 -29.35 15.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.305 1.442 . . . . 0.0 112.883 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.84 -15.83 63.88 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.57 -37.83 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.459 1.904 . . . . 0.0 110.346 173.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -66.85 -25.85 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.554 1.142 . . . . 0.0 111.937 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.73 -27.21 62.79 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.311 -0.868 . . . . 0.0 112.746 170.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -70.85 -16.1 62.68 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.07 0.948 . . . . 0.0 112.699 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.86 -41.74 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.375 1.47 . . . . 0.0 110.48 169.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -50.7 -42.97 57.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.07 0.948 . . . . 0.0 113.234 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.25 -4.47 22.0 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -79.45 -20.0 48.51 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.034 0.934 . . . . 0.0 112.514 170.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 98.88 -171.34 24.71 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.904 1.716 . . . . 0.0 114.542 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -164.32 164.8 22.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.513 2.325 . . . . 0.0 110.593 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.25 -38.62 0.09 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.13 -19.45 60.57 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 22.5 mmt -54.02 -50.46 66.59 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.376 1.07 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -65.39 -26.54 68.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.863 0.865 . . . . 0.0 113.247 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -83.38 -27.02 29.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.797 1.239 . . . . 0.0 112.282 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 30.3 m -91.82 -48.27 6.88 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.068 1.347 . . . . 0.0 111.512 -177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 88.8 mt -75.2 -46.7 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.735 0.814 . . . . 0.0 111.439 -169.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -59.53 -41.18 89.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.671 1.123 . . . . 0.0 111.679 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.7 -53.99 51.31 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.444 0.698 . . . . 0.0 111.379 173.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.76 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -83.02 -30.82 27.81 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.855 1.262 . . . . 0.0 113.224 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 75.7 t -96.45 -16.97 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.861 1.264 . . . . 0.0 113.422 -173.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.65 -6.17 49.1 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 44.3 p -81.95 -5.36 58.24 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -171.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.333 1.453 . . . . 0.0 112.694 -171.629 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.0 mmm . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.43 16.7 0.21 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.861 1.264 . . . . 0.0 113.555 -169.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 p -38.21 -49.92 3.33 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -169.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.96 -36.24 31.41 Favored 'Trans proline' 0 C--N 1.355 0.88 0 CA-C-N 122.617 1.97 . . . . 0.0 112.729 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.09 -39.49 25.6 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.436 1.016 . . . . 0.0 111.96 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.39 -38.05 82.72 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.891 1.276 . . . . 0.0 112.203 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -73.84 -23.9 59.69 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 173.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.42 -48.75 12.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.685 1.13 . . . . 0.0 112.622 175.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.9 pt -63.02 -35.27 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.87 -1.144 . . . . 0.0 110.586 172.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -27.31 71.28 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 124.818 1.199 . . . . 0.0 113.113 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -49.75 58.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.674 1.737 . . . . 0.0 110.15 173.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.63 -43.37 89.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.403 0.681 . . . . 0.0 110.917 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -66.65 -41.98 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.883 0.765 . . . . 0.0 110.934 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.63 89.71 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.511 1.053 . . . . 0.0 112.626 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mt -66.19 -35.13 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.214 1.007 . . . . 0.0 111.905 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -65.87 -53.55 38.24 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.33 0.968 . . . . 0.0 111.154 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.27 -26.86 64.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -51.85 -48.59 63.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.775 1.23 . . . . 0.0 111.537 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.484 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 50.8 m-85 -81.84 -36.42 28.29 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p -67.39 -30.87 70.76 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 121.098 1.772 . . . . 0.0 112.742 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 -8.75 59.41 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.764 1.173 . . . . 0.0 114.811 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' A' ' 19' ' ' TYR . 39.6 mttm -62.31 -52.8 62.24 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.037 1.419 . . . . 0.0 112.241 171.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -89.54 -7.1 55.63 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.318 0.647 . . . . 0.0 112.513 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.47 18.16 36.76 Favored Glycine 0 C--N 1.344 0.994 0 C-N-CA 124.913 1.244 . . . . 0.0 114.208 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.64 178.61 7.61 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.501 1.121 . . . . 0.0 111.777 174.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -121.01 -105.03 0.39 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.307 1.443 . . . . 0.0 111.778 -172.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.83 17.85 0.88 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -169.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -155.74 147.46 23.07 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.465 1.506 . . . . 0.0 111.896 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.6 154.35 35.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.986 1.714 . . . . 0.0 110.527 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -79.62 158.01 27.16 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.298 -0.876 . . . . 0.0 110.385 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -55.77 -39.53 71.35 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.506 -1.371 . . . . 0.0 113.69 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -31.0 63.38 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.035 -1.041 . . . . 0.0 113.784 176.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.75 -38.5 73.5 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.451 1.1 . . . . 0.0 110.413 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.4 -43.08 91.76 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.338 1.055 . . . . 0.0 110.395 169.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -57.61 -37.64 73.59 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.044 -1.035 . . . . 0.0 111.619 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.09 -40.3 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.723 0.809 . . . . 0.0 112.173 175.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -54.67 -51.23 66.13 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.486 1.039 . . . . 0.0 110.403 169.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.62 -50.81 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.587 0.631 . . . . 0.0 111.013 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.02 -28.39 69.77 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -86.68 -45.4 11.02 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.43 -43.16 12.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.822 0.849 . . . . 0.0 112.936 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -112.88 45.07 1.39 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.842 2.457 . . . . 0.0 110.014 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m -45.57 112.89 0.51 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.494 2.317 . . . . 0.0 113.631 -169.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 pp -80.51 73.76 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.358 1.063 . . . . 0.0 110.667 170.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.08 -9.93 49.71 Favored Glycine 0 N--CA 1.476 1.338 0 C-N-CA 124.672 1.129 . . . . 0.0 115.108 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 p -74.8 -16.88 60.69 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.804 1.642 . . . . 0.0 112.835 169.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt 71.39 -46.94 0.65 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 129.783 3.233 . . . . 0.0 113.808 175.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.91 -30.34 71.44 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.294 1.438 . . . . 0.0 112.848 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -74.67 -3.22 30.04 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.43 -25.21 61.95 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.915 -1.116 . . . . 0.0 112.499 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.41 71.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.894 1.278 . . . . 0.0 113.188 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.99 -33.19 33.92 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.475 0.58 . . . . 0.0 110.739 169.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.42 -40.78 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.286 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -27.82 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.642 1.565 . . . . 0.0 112.984 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.19 -40.33 59.4 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.996 0.817 . . . . 0.0 112.55 170.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.86 -34.0 77.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.858 0.863 . . . . 0.0 111.888 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.58 -39.18 87.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.089 1.356 . . . . 0.0 110.992 169.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.41 -36.85 83.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.337 0.971 . . . . 0.0 113.04 171.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -66.73 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.706 1.139 . . . . 0.0 112.657 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.33 -44.64 19.16 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.893 1.677 . . . . 0.0 112.416 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.09 -15.12 63.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.493 1.917 . . . . 0.0 113.238 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.66 -18.04 4.09 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.754 1.622 . . . . 0.0 113.817 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.12 -33.15 73.92 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -148.04 -19.55 0.35 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -170.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t0 66.75 50.38 1.15 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.311 1.844 . . . . 0.0 111.802 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 176.39 -41.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.261 2.624 . . . . 0.0 111.849 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -145.35 154.16 42.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.442 1.497 . . . . 0.0 111.232 -170.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.6 t -111.71 105.1 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 127.513 2.325 . . . . 0.0 108.649 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -82.45 151.89 26.35 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 112.276 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.85 -40.13 63.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.396 1.478 . . . . 0.0 114.687 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.13 -39.2 89.69 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.66 -0.65 . . . . 0.0 112.002 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.93 -40.38 75.55 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.844 0.458 . . . . 0.0 111.093 173.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -57.73 -46.13 84.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.201 1.0 . . . . 0.0 113.132 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -43.76 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 120.033 1.288 . . . . 0.0 111.206 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 m -57.15 -44.19 83.2 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.161 0.985 . . . . 0.0 110.853 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.82 -40.84 79.3 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.528 1.531 . . . . 0.0 112.344 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.56 -26.12 68.27 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.601 1.091 . . . . 0.0 111.88 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.08 -38.13 93.72 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 118.99 0.814 . . . . 0.0 112.565 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.0 74.07 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.989 0.895 . . . . 0.0 111.778 170.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.21 -43.08 87.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.133 -0.979 . . . . 0.0 111.007 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.74 99.3 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.579 1.152 . . . . 0.0 112.686 173.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 ptm -71.75 -24.26 61.74 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.621 1.101 . . . . 0.0 113.404 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.41 -27.74 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.922 0.889 . . . . 0.0 111.818 170.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -77.01 54.16 1.01 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 122.454 1.121 . . . . 0.0 110.657 168.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -44.57 -36.05 2.84 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.742 2.817 . . . . 0.0 115.739 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.27 -25.78 66.23 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.819 0.736 . . . . 0.0 112.532 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.08 -20.08 63.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.714 0.806 . . . . 0.0 112.667 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.5 -4.75 33.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.041 1.736 . . . . 0.0 112.467 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -87.69 -48.29 7.99 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.46 1.104 . . . . 0.0 109.824 169.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 C-N-CA 126.514 2.007 . . . . 0.0 115.189 175.46 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.428 0.156 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.3 21.67 0.08 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.717 2.407 . . . . 0.0 112.127 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.7 p -44.71 -42.07 13.68 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.45 -38.6 14.36 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 123.307 2.217 . . . . 0.0 113.132 -171.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.25 -39.99 22.23 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.06 0.845 . . . . 0.0 112.183 170.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.39 -39.19 82.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.68 0.673 . . . . 0.0 112.513 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.27 -30.83 71.87 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.7 0.682 . . . . 0.0 112.287 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.28 -49.1 12.03 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.906 0.882 . . . . 0.0 112.451 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.64 -30.86 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.087 0.858 . . . . 0.0 111.517 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.76 -35.35 90.84 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.479 1.514 . . . . 0.0 112.983 172.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.27 78.09 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.714 1.206 . . . . 0.0 110.563 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.86 -40.52 80.38 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.998 0.919 . . . . 0.0 111.654 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -46.0 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.703 1.138 . . . . 0.0 111.548 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.76 -36.68 92.58 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 123.829 0.728 . . . . 0.0 114.131 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.54 -44.0 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.921 1.361 . . . . 0.0 111.505 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -74.06 -54.99 6.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.387 0.994 . . . . 0.0 113.589 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -68.15 -24.41 64.99 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -46.68 -47.52 20.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.714 1.205 . . . . 0.0 112.37 169.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -82.62 -34.36 27.6 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.998 1.319 . . . . 0.0 113.487 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.6 m -61.52 -43.07 99.53 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.884 -1.135 . . . . 0.0 112.297 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.29 -16.62 67.27 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.492 1.044 . . . . 0.0 113.527 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.45 -34.47 65.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.204 1.002 . . . . 0.0 112.172 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -77.18 -40.31 45.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.342 0.657 . . . . 0.0 110.452 169.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.03 -18.14 33.21 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 126.507 2.004 . . . . 0.0 116.657 169.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.71 -44.02 19.39 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.132 1.466 . . . . 0.0 113.356 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -150.05 166.77 28.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.978 1.711 . . . . 0.0 112.109 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -74.43 58.03 0.73 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.229 1.812 . . . . 0.0 113.233 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -136.78 165.17 26.55 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.22 2.208 . . . . 0.0 110.677 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -129.07 122.23 29.53 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.975 1.31 . . . . 0.0 109.971 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -78.28 169.12 18.78 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.827 0.822 . . . . 0.0 110.653 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -53.02 -47.79 68.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.146 1.378 . . . . 0.0 114.598 -169.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.92 -32.0 70.06 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.18 -39.39 63.22 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.242 . . . . 0.0 111.457 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.64 -47.58 84.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.391 1.076 . . . . 0.0 110.499 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -57.76 -37.82 74.33 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.704 0.684 . . . . 0.0 112.406 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -64.69 -39.78 94.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.645 0.657 . . . . 0.0 112.428 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.04 -56.25 24.7 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.771 0.828 . . . . 0.0 110.291 169.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.92 -45.88 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 118.133 0.424 . . . . 0.0 111.125 -172.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.94 -20.3 59.74 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.838 0.744 . . . . 0.0 112.821 -175.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -86.17 -51.71 6.12 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.567 1.076 . . . . 0.0 113.398 169.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.74 -34.53 21.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.098 0.959 . . . . 0.0 112.279 -169.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 18.3 mt -117.84 45.11 2.03 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.795 2.038 . . . . 0.0 109.829 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.8 t -43.84 129.88 5.69 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.638 1.975 . . . . 0.0 114.755 -169.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 pt -92.15 1.02 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 127.837 2.455 . . . . 0.0 112.674 175.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.03 -44.54 2.37 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.757 1.646 . . . . 0.0 114.025 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.1 m -140.15 154.03 46.85 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.057 1.343 . . . . 0.0 112.89 -175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -73.83 68.59 1.31 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.829 1.651 . . . . 0.0 111.309 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 55.3 tp -140.64 -39.57 0.42 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.51 1.524 . . . . 0.0 113.982 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -79.65 -1.8 39.85 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.098 0.959 . . . . 0.0 112.537 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.36 -39.0 45.18 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.333 1.853 . . . . 0.0 113.905 -174.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.26 69.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.83 0.852 . . . . 0.0 113.179 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -81.35 -39.84 24.45 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.811 0.845 . . . . 0.0 110.698 169.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -63.0 -39.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.496 0.718 . . . . 0.0 112.082 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.92 -31.62 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.611 1.096 . . . . 0.0 112.435 175.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -78.47 -28.65 46.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.014 0.825 . . . . 0.0 112.557 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.91 -42.07 86.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.988 0.915 . . . . 0.0 109.838 168.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.07 -36.95 85.31 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.916 1.286 . . . . 0.0 111.19 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.13 -20.2 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.748 1.219 . . . . 0.0 113.515 172.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -80.63 -39.98 26.43 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 111.027 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.46 -38.57 77.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.219 1.408 . . . . 0.0 111.103 169.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.69 -31.44 69.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.037 1.335 . . . . 0.0 113.309 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 -71.55 -14.39 62.08 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.355 -0.841 . . . . 0.0 113.002 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.58 -27.96 26.9 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.409 1.004 . . . . 0.0 111.965 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -161.48 124.95 3.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.18 1.392 . . . . 0.0 112.952 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.49 131.6 51.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.607 1.563 . . . . 0.0 113.1 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.46 -63.51 0.3 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 128.237 2.615 . . . . 0.0 110.022 176.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.71 134.98 47.37 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.068 2.147 . . . . 0.0 109.934 -171.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.16 115.28 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.121 0.968 . . . . 0.0 111.855 -169.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -80.04 161.38 25.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.708 1.603 . . . . 0.0 112.061 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -49.57 -58.3 5.48 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -29.41 68.29 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.042 -1.036 . . . . 0.0 111.861 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -73.73 -32.88 64.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.39 2.276 . . . . 0.0 111.257 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -69.84 -40.24 75.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.167 1.387 . . . . 0.0 111.426 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.92 -32.24 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 120.789 -1.194 . . . . 0.0 111.589 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.0 m -59.74 -40.19 87.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.766 0.827 . . . . 0.0 111.131 172.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.75 -38.82 87.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.786 -0.626 . . . . 0.0 112.46 171.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -25.7 67.95 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.647 1.112 . . . . 0.0 112.067 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.31 86.21 Favored Glycine 0 N--CA 1.468 0.807 0 C-N-CA 124.12 0.867 . . . . 0.0 111.995 169.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.05 99.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.229 1.014 . . . . 0.0 112.059 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.54 -38.93 92.99 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.165 -0.96 . . . . 0.0 111.7 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.67 76.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.06 0.944 . . . . 0.0 112.984 171.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -71.37 -27.85 63.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.74 -37.26 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 0.0 110.797 169.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -74.74 46.79 0.3 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.069 1.348 . . . . 0.0 110.597 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.78 -30.7 34.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.69 2.796 . . . . 0.0 116.585 -168.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.97 -34.9 72.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.095 0.861 . . . . 0.0 112.265 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 -16.5 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -96.47 -26.61 15.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.287 1.435 . . . . 0.0 112.759 172.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -78.36 -38.31 42.27 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.941 0.792 . . . . 0.0 112.865 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.174 0 CA-C-O 118.173 -1.348 . . . . 0.0 113.327 175.939 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 119.173 -0.441 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.56 152.08 44.34 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.129 1.372 . . . . 0.0 111.518 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -138.61 -10.59 0.91 Allowed Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.387 1.47 . . . . 0.0 116.168 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.44 -42.8 78.71 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.83 2.315 . . . . 0.0 112.636 -177.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.48 67.0 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.395 1.078 . . . . 0.0 113.5 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -77.06 -23.43 52.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.933 1.242 . . . . 0.0 112.281 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.96 -45.5 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 109.159 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.25 -26.24 67.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.155 1.382 . . . . 0.0 112.173 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.8 -31.89 72.14 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.069 -1.019 . . . . 0.0 112.362 169.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -71.46 -17.7 62.35 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.15 -0.969 . . . . 0.0 112.769 174.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 29.0 mm -92.68 -35.17 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.638 1.575 . . . . 0.0 110.866 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -53.91 -41.35 67.57 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.259 1.423 . . . . 0.0 111.887 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.75 -4.94 34.51 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -97.53 -47.69 5.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.357 1.063 . . . . 0.0 109.6 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 29.77 -127.96 0.12 Allowed Glycine 0 C--N 1.343 0.945 0 C-N-CA 128.815 3.102 . . . . 0.0 117.035 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -167.26 -149.95 0.1 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.463 2.305 . . . . 0.0 110.132 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.26 -13.84 0.21 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.305 1.842 . . . . 0.0 113.605 -174.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.41 -19.64 66.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 19.6 mmt -48.5 -46.91 39.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.548 1.139 . . . . 0.0 112.465 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -63.94 -24.15 67.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -94.92 -19.95 19.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.936 1.695 . . . . 0.0 113.357 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 38.9 m -94.73 -51.57 4.66 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.688 1.195 . . . . 0.0 111.438 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.8 -40.28 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.945 0.898 . . . . 0.0 111.257 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.16 -65.75 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.499 1.12 . . . . 0.0 112.189 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -61.4 -36.72 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.329 -0.857 . . . . 0.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.11 77.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -80.5 -40.4 26.17 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.671 0.669 . . . . 0.0 111.979 172.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 19.4 t -69.25 -28.29 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.902 1.281 . . . . 0.0 113.577 -171.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.08 -17.24 64.57 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 58.8 m -87.41 -8.55 56.42 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 124.164 0.986 . . . . 0.0 112.922 -175.509 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -137.27 152.05 49.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.105 1.362 . . . . 0.0 110.913 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -93.2 158.17 23.66 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.807 1.194 . . . . 0.0 112.166 170.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -54.62 -39.9 68.39 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.451 1.101 . . . . 0.0 113.388 -173.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -27.69 33.65 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.277 1.431 . . . . 0.0 114.149 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.11 -8.8 58.71 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.562 1.074 . . . . 0.0 113.648 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.48 -39.15 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.643 1.577 . . . . 0.0 109.036 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.67 -39.02 86.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.317 1.447 . . . . 0.0 111.077 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.84 -36.96 50.09 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.311 1.444 . . . . 0.0 112.971 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.4 -25.17 66.64 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.324 -0.86 . . . . 0.0 112.71 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.25 -43.75 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.024 0.93 . . . . 0.0 110.351 172.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -53.33 -39.55 64.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.644 1.178 . . . . 0.0 113.927 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.18 -6.4 34.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -108.97 -40.91 4.87 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.981 1.713 . . . . 0.0 111.159 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 73.07 -150.83 44.69 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.966 1.746 . . . . 0.0 113.539 173.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -154.91 145.26 22.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.017 1.327 . . . . 0.0 110.778 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -69.57 -17.96 63.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.048 0.939 . . . . 0.0 113.515 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.48 -22.57 28.17 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -45.95 75.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.567 1.076 . . . . 0.0 110.986 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -19.87 66.08 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 51.6 ttp85 -85.44 -22.16 28.43 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.615 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 99.8 m -93.1 -49.74 5.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.914 1.685 . . . . 0.0 112.002 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.15 -32.66 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.63 0.65 . . . . 0.0 111.197 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -54.92 -59.99 3.98 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.856 0.862 . . . . 0.0 111.679 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.65 -35.12 79.48 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.974 -1.079 . . . . 0.0 112.937 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.2 67.57 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -85.73 -37.43 19.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.762 0.825 . . . . 0.0 111.522 170.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 22.1 t -65.99 -28.44 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.919 0.888 . . . . 0.0 113.184 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.66 -15.84 63.17 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 171.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 14.0 m -99.2 -9.87 23.17 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.751 1.621 . . . . 0.0 113.322 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.633 1.573 . . . . 0.0 113.507 -176.246 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.19 -21.63 66.64 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 -168.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -53.41 -36.44 38.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -170.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.87 -34.87 13.37 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 123.052 2.501 . . . . 0.0 113.155 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.9 tp -80.42 -38.27 30.48 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 111.629 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -60.83 -39.99 91.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.025 0.93 . . . . 0.0 111.692 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.25 -18.49 63.14 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.91 -52.84 6.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.208 0.913 . . . . 0.0 112.545 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 pt -65.01 -30.99 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 120.221 1.373 . . . . 0.0 112.02 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -24.46 74.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.343 0.973 . . . . 0.0 112.777 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -52.74 51.96 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.831 1.316 . . . . 0.0 109.887 171.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.62 -42.83 75.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.631 1.172 . . . . 0.0 110.851 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.07 -49.56 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 118.73 0.695 . . . . 0.0 111.932 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.73 -32.51 74.34 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.832 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -63.66 -52.02 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.294 1.047 . . . . 0.0 110.267 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.07 -48.68 77.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 111.807 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -26.98 64.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 28.4 ttpt -60.21 -43.01 96.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.105 0.866 . . . . 0.0 111.156 173.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CE2' ' HE2' ' A' ' 18' ' ' LYS . 63.6 m-85 -82.21 -38.4 24.62 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 76.9 p -65.24 -10.78 34.8 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.7 -6.0 89.19 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.885 -0.953 . . . . 0.0 114.762 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -75.0 -44.63 47.0 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.317 1.558 . . . . 0.0 112.691 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -160.47 -12.79 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.14 -143.05 7.76 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 126.181 1.848 . . . . 0.0 113.726 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -150.75 177.64 9.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.009 1.324 . . . . 0.0 111.52 -174.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -49.62 -21.89 1.15 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.958 2.103 . . . . 0.0 116.259 -175.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 17.27 2.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.34 1.456 . . . . 0.0 114.721 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -159.5 143.78 15.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 113.354 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -113.55 153.53 28.63 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.191 1.796 . . . . 0.0 109.35 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -76.57 164.32 26.05 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.185 -0.947 . . . . 0.0 110.504 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.04 -36.0 72.12 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.128 -1.608 . . . . 0.0 113.392 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -75.24 -38.01 60.78 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 112.741 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -67.33 -40.6 85.91 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.31 1.044 . . . . 0.0 111.009 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.9 tm? -58.77 -47.43 84.74 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.555 1.142 . . . . 0.0 109.003 169.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -52.71 -36.01 56.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.994 0.816 . . . . 0.0 112.901 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.7 -48.53 76.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.427 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.89 -53.54 47.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.663 1.585 . . . . 0.0 111.548 172.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.2 pt -72.19 -26.81 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.28 -31.84 73.2 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.774 1.17 . . . . 0.0 111.905 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -62.53 1.64 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.675 0.79 . . . . 0.0 111.353 170.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -78.25 -33.11 49.91 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 -167.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -118.96 42.3 2.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.55 1.54 . . . . 0.0 109.805 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -53.62 -44.68 69.69 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -168.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.9 mt 72.73 123.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 126.989 2.115 . . . . 0.0 110.342 -171.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.75 24.56 14.5 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.388 1.471 . . . . 0.0 115.52 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -158.95 157.02 30.55 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.453 1.627 . . . . 0.0 113.719 -173.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.252 19.1 ptpt 47.76 -160.15 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.83 2.852 . . . . 0.0 116.42 175.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -77.62 66.99 3.44 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.801 1.64 . . . . 0.0 109.57 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -33.27 66.26 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -169.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.37 -29.98 69.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.302 0.955 . . . . 0.0 113.164 -176.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.1 -27.78 68.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 112.928 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -80.09 -38.77 31.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.975 0.91 . . . . 0.0 110.519 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -61.02 -43.96 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.164 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.7 m -66.06 -26.6 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 119.978 1.263 . . . . 0.0 113.049 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.88 -37.22 35.29 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.397 0.999 . . . . 0.0 112.494 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.06 -41.01 97.71 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.88 1.218 . . . . 0.0 110.845 169.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.49 -45.47 91.58 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.13 1.372 . . . . 0.0 111.085 172.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.06 -44.53 96.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.643 0.777 . . . . 0.0 112.001 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.65 -29.38 69.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.201 0.91 . . . . 0.0 112.759 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.18 -51.95 21.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.13 1.372 . . . . 0.0 112.015 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -72.26 -27.81 62.73 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.223 1.809 . . . . 0.0 113.686 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -10.62 60.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.936 1.088 . . . . 0.0 113.936 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -71.69 -19.81 62.02 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 112.246 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.93 -97.19 0.44 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.798 1.639 . . . . 0.0 111.822 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -163.08 -71.46 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.107 1.363 . . . . 0.0 112.397 -170.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -142.77 20.24 1.99 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.334 1.853 . . . . 0.0 111.793 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -156.88 162.94 39.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.231 1.812 . . . . 0.0 111.175 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.56 112.3 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.178 1.391 . . . . 0.0 109.249 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -79.78 168.62 19.06 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.57 -36.7 84.65 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -173.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -66.9 -46.5 74.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.589 -0.694 . . . . 0.0 110.681 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.51 -36.11 81.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.733 0.813 . . . . 0.0 112.265 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -55.44 -51.8 65.73 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.906 0.882 . . . . 0.0 111.643 170.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.51 -39.53 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.887 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.3 m -60.05 -36.11 76.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.247 1.019 . . . . 0.0 111.596 172.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -72.94 -35.61 67.03 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 112.766 173.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.9 -29.65 70.35 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.425 1.466 . . . . 0.0 111.493 170.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.01 -35.85 92.36 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 123.966 0.793 . . . . 0.0 113.353 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.5 62.0 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.476 1.138 . . . . 0.0 112.089 169.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.41 -45.21 76.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.935 1.294 . . . . 0.0 111.177 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.8 69.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.977 1.311 . . . . 0.0 113.789 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.4 tmm? -77.45 -35.73 53.66 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.16 -35.21 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.613 1.097 . . . . 0.0 110.88 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -72.32 39.4 0.08 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.81 1.644 . . . . 0.0 112.629 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.5 -30.36 0.56 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 129.699 3.199 . . . . 0.0 118.641 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.19 -32.33 66.35 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 121.598 1.999 . . . . 0.0 112.919 173.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -18.15 62.39 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.196 1.398 . . . . 0.0 113.959 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.86 17.11 10.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.255 1.822 . . . . 0.0 113.233 175.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -73.95 -28.33 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.261 -1.524 . . . . 0.0 111.719 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 C-N-CA 125.697 1.618 . . . . 0.0 113.766 176.929 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 119.721 -0.181 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.86 -20.93 26.76 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.031 0.933 . . . . 0.0 112.867 170.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -46.0 -35.91 4.74 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.33 -44.85 21.05 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.564 2.176 . . . . 0.0 113.293 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 26.7 tp -79.51 -36.73 38.1 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.796 0.725 . . . . 0.0 111.536 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.75 -34.36 78.14 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.362 0.665 . . . . 0.0 112.509 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -74.36 -31.8 62.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.736 0.698 . . . . 0.0 111.749 171.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.17 66.19 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.457 1.026 . . . . 0.0 111.962 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -66.85 -31.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.105 -0.997 . . . . 0.0 111.211 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -28.97 72.99 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.727 1.155 . . . . 0.0 113.417 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -49.84 63.27 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.539 1.17 . . . . 0.0 110.654 174.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.99 -41.29 91.74 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.813 0.845 . . . . 0.0 111.282 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.5 mt -65.51 -44.84 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.473 0.579 . . . . 0.0 110.898 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -34.23 81.71 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.644 1.116 . . . . 0.0 113.071 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 23.0 mt -68.66 -53.26 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 117.909 0.854 . . . . 0.0 109.888 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.82 -55.7 29.95 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.52 -22.97 64.49 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -168.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -53.41 -41.81 66.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.123 0.969 . . . . 0.0 112.294 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -80.95 -37.7 28.99 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.2 m -52.16 -24.72 7.51 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.08 -6.29 84.93 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 118.854 -0.97 . . . . 0.0 115.118 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -80.97 -39.27 26.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.24 1.52 . . . . 0.0 113.502 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -142.29 -32.12 0.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.651 1.18 . . . . 0.0 113.279 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -138.11 5.42 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.865 1.698 . . . . 0.0 114.137 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.7 166.45 24.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.216 1.806 . . . . 0.0 110.113 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.86 16.47 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 117.83 2.529 . . . . 0.0 117.83 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -153.01 10.6 0.46 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.722 1.609 . . . . 0.0 114.151 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -150.46 166.18 30.92 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.938 1.295 . . . . 0.0 112.312 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.61 135.83 47.27 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 126.134 1.774 . . . . 0.0 109.306 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 t -78.31 148.45 33.8 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.557 -0.715 . . . . 0.0 109.823 169.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -58.34 -28.09 64.77 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.986 -1.696 . . . . 0.0 115.32 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -79.67 -27.1 40.83 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.35 -38.36 55.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.283 1.833 . . . . 0.0 109.897 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.99 -39.79 91.03 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.95 2.1 . . . . 0.0 110.971 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.98 -34.79 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.065 -1.647 . . . . 0.0 113.372 170.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -66.53 -42.05 87.83 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.627 0.649 . . . . 0.0 110.672 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.79 -54.07 50.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.166 170.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.56 -46.71 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 120.359 1.436 . . . . 0.0 111.885 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.73 -31.76 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.282 0.492 . . . . 0.0 111.973 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -85.32 -35.55 21.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.426 1.09 . . . . 0.0 112.906 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.23 -63.99 0.96 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.468 1.907 . . . . 0.0 110.129 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -85.23 -63.41 1.33 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.737 -0.602 . . . . 0.0 111.082 -173.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m 63.12 52.71 2.45 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.934 1.693 . . . . 0.0 109.615 -174.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.6 mt -54.28 119.63 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.859 1.263 . . . . 0.0 111.125 -169.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.55 43.98 3.29 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.341 1.448 . . . . 0.0 113.278 -175.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -159.17 155.56 27.38 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.297 1.039 . . . . 0.0 112.754 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt 55.88 -141.97 0.8 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.067 1.747 . . . . 0.0 111.664 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.0 mt -85.64 -12.05 52.32 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.577 1.151 . . . . 0.0 113.319 174.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 69.31 -65.76 0.28 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 129.129 2.972 . . . . 0.0 110.738 -173.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.68 -37.65 87.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.214 1.006 . . . . 0.0 112.687 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -24.13 67.53 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.925 0.89 . . . . 0.0 113.042 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 -41.27 24.07 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.321 0.648 . . . . 0.0 110.293 169.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.38 -41.44 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.338 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -68.96 -24.47 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 119.489 1.04 . . . . 0.0 113.074 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.43 -36.84 33.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.065 0.848 . . . . 0.0 111.958 169.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.55 -40.64 84.98 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.54 -0.725 . . . . 0.0 111.691 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -28.83 69.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.642 0.655 . . . . 0.0 111.869 176.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.93 -28.02 64.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.094 1.358 . . . . 0.0 112.47 170.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.6 -26.24 37.96 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -47.77 33.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 111.296 170.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.11 -1.48 26.27 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.28 1.432 . . . . 0.0 113.427 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -57.23 -23.4 47.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.11 1.364 . . . . 0.0 112.478 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -78.62 -8.49 58.69 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.004 1.721 . . . . 0.0 113.691 174.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -148.99 -107.62 0.08 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.096 1.359 . . . . 0.0 112.518 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 166.64 -15.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 129.62 3.168 . . . . 0.0 113.987 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -147.48 -29.23 0.35 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -160.17 153.08 21.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.939 0.895 . . . . 0.0 112.184 -169.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.54 116.74 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.194 1.797 . . . . 0.0 109.212 -172.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -77.59 155.57 31.4 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.209 1.004 . . . . 0.0 111.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.27 -46.66 36.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.367 1.467 . . . . 0.0 114.723 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -69.62 -32.92 71.92 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.049 0.84 . . . . 0.0 111.757 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -70.41 -36.41 74.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.088 0.955 . . . . 0.0 111.677 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.92 -45.51 93.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.929 0.891 . . . . 0.0 111.826 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.0 -35.46 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.27 -0.894 . . . . 0.0 111.774 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 43.4 m -59.09 -45.36 91.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.951 1.301 . . . . 0.0 110.709 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.2 -39.75 95.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.354 0.662 . . . . 0.0 112.456 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.43 -23.83 67.42 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.591 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.57 95.29 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.604 1.093 . . . . 0.0 111.656 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.4 81.97 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.061 0.93 . . . . 0.0 112.414 172.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.55 -39.66 94.15 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.39 0.676 . . . . 0.0 111.398 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.99 95.6 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.99 1.316 . . . . 0.0 112.266 172.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.3 tpt -65.1 -31.37 72.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.76 0.824 . . . . 0.0 112.304 174.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.26 -27.01 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.071 0.948 . . . . 0.0 112.814 172.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -77.5 49.12 0.7 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.387 0.994 . . . . 0.0 111.647 169.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -53.11 -25.3 12.57 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.268 1.827 . . . . 0.0 114.953 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.77 -39.1 73.44 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.38 1.072 . . . . 0.0 112.336 171.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.99 66.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.168 0.987 . . . . 0.0 112.305 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.89 1.11 24.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.403 1.481 . . . . 0.0 112.597 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -76.74 -22.95 53.11 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.85 1.205 . . . . 0.0 113.234 169.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.252 0 C-N-CA 125.473 1.511 . . . . 0.0 113.573 -175.959 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 36.5 p . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.95 -7.61 58.01 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -170.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -68.1 141.55 37.92 Favored Glycine 0 CA--C 1.533 1.184 0 O-C-N 121.11 -0.994 . . . . 0.0 111.825 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -54.28 -34.85 61.76 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.597 1.159 . . . . 0.0 113.741 -171.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -50.71 -29.37 11.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.937 1.695 . . . . 0.0 113.358 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -65.58 -22.82 66.72 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.697 1.199 . . . . 0.0 113.696 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 78.4 t -98.44 -40.46 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.668 1.587 . . . . 0.0 109.703 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.09 -38.0 89.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.946 1.298 . . . . 0.0 111.244 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.64 -18.0 64.54 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -70.83 -23.6 62.37 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.142 -0.974 . . . . 0.0 112.651 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 95.5 mt -76.57 -32.01 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.095 1.358 . . . . 0.0 111.231 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -53.36 -40.8 65.23 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.314 1.045 . . . . 0.0 112.664 171.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -72.13 -0.41 11.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.732 1.613 . . . . 0.0 113.917 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.87 -27.5 66.72 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.239 1.016 . . . . 0.0 112.175 170.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.25 44.64 27.84 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.304 0.954 . . . . 0.0 114.855 169.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.07 132.65 53.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.053 0.927 . . . . 0.0 113.475 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -82.68 -26.2 32.31 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.36 -23.6 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.017 0.826 . . . . 0.0 112.613 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 13.5 tpt -59.99 -46.03 90.79 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.536 0.607 . . . . 0.0 110.222 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -58.28 -33.77 69.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.293 1.037 . . . . 0.0 112.465 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -74.89 -41.19 60.23 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.708 0.685 . . . . 0.0 111.441 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.0 m -63.24 -43.07 99.07 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.33 1.452 . . . . 0.0 111.924 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.35 -33.41 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.818 0.847 . . . . 0.0 112.411 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.54 -56.03 5.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.492 0.717 . . . . 0.0 112.603 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -72.58 -31.26 65.09 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -172.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.17 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.949 1.3 . . . . 0.0 114.358 -173.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -69.46 -36.91 77.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.514 1.125 . . . . 0.0 112.217 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 89.3 t -88.84 -36.99 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.936 1.695 . . . . 0.0 112.344 -170.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -76.72 -2.66 34.07 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 48.1 t -74.66 53.96 0.59 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 125.408 1.483 . . . . 0.0 110.027 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 128.127 2.571 . . . . 0.0 113.239 -169.907 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 51.2 p . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.474 0.178 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -162.38 166.86 24.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.709 1.604 . . . . 0.0 111.395 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -159.15 142.15 8.11 Favored Glycine 0 N--CA 1.467 0.737 0 C-N-CA 124.793 1.187 . . . . 0.0 112.427 174.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 192' ' ' LEU . . . . . 0.496 ' H ' HD23 ' D' ' 192' ' ' LEU . 2.1 pt? -55.11 -42.29 72.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.744 1.217 . . . . 0.0 113.255 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -55.68 -34.64 65.22 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.571 1.148 . . . . 0.0 112.725 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.01 -22.76 66.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.02 0.928 . . . . 0.0 113.368 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.17 -43.14 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.543 1.537 . . . . 0.0 109.791 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.78 -32.01 72.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.5 1.52 . . . . 0.0 111.994 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.16 -36.2 77.02 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.344 -0.847 . . . . 0.0 112.124 171.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -68.89 -19.29 64.22 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.7 mt -89.89 -42.6 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.184 1.394 . . . . 0.0 110.833 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.85 -44.38 66.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.215 1.006 . . . . 0.0 113.056 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.55 -1.32 20.93 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -75.25 -25.88 58.4 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 137.32 -153.18 21.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.738 1.161 . . . . 0.0 114.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 78.75 143.71 0.08 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 129.534 3.134 . . . . 0.0 112.274 -175.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -144.71 14.42 1.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -169.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -83.65 -20.09 34.22 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.823 -1.173 . . . . 0.0 113.929 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.07 -56.32 23.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.183 0.993 . . . . 0.0 109.833 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -61.18 -28.85 69.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.843 1.257 . . . . 0.0 113.78 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.14 -37.34 72.27 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.531 1.06 . . . . 0.0 111.334 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 29.7 m -73.75 -46.58 44.94 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.194 0.998 . . . . 0.0 111.075 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.02 -40.33 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.598 1.159 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.94 -59.25 5.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.422 0.556 . . . . 0.0 111.859 173.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -62.99 -36.44 83.55 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.749 1.159 . . . . 0.0 113.052 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.61 65.17 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -85.08 -46.15 11.42 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.984 0.513 . . . . 0.0 110.32 169.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 44.6 t -70.78 -20.67 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.123 1.369 . . . . 0.0 113.717 -169.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.69 -22.47 46.29 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 169.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 32.9 m -107.18 -0.78 22.48 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.166 1.386 . . . . 0.0 113.982 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.338 1.455 . . . . 0.0 112.769 -177.723 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.1 mmm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.17 -45.18 0.58 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 128.202 2.601 . . . . 0.0 114.043 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -59.71 -29.42 5.77 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.13 -42.55 17.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.583 2.189 . . . . 0.0 112.395 170.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 tp -74.39 -39.04 62.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.724 0.693 . . . . 0.0 111.714 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.4 -43.41 88.54 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.401 1.081 . . . . 0.0 112.752 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -73.5 -13.81 61.11 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.77 -53.66 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.95 -1.094 . . . . 0.0 111.591 169.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 pt -61.46 -35.62 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.563 1.074 . . . . 0.0 112.063 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.51 67.93 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.894 1.235 . . . . 0.0 113.871 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -57.1 5.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.795 1.238 . . . . 0.0 109.62 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.11 -36.71 68.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.781 1.232 . . . . 0.0 111.805 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -44.5 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 118.757 0.708 . . . . 0.0 111.634 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.27 -34.18 51.88 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.382 -0.677 . . . . 0.0 112.888 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -57.28 -48.55 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.152 0.976 . . . . 0.0 110.643 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -70.3 -53.88 14.96 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.784 0.833 . . . . 0.0 112.093 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.54 -20.38 62.81 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -54.18 -39.09 66.31 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.8 0.84 . . . . 0.0 111.21 169.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -83.0 -30.46 28.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.369 1.468 . . . . 0.0 114.581 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -65.74 -46.44 78.84 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.183 0.901 . . . . 0.0 112.094 169.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.87 -13.83 69.72 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.356 1.455 . . . . 0.0 114.37 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.06 -41.74 98.46 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.32 1.048 . . . . 0.0 111.07 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -94.88 -19.19 20.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.141 1.376 . . . . 0.0 112.458 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.61 17.74 40.77 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.974 1.274 . . . . 0.0 113.556 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -74.92 160.07 31.06 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.184 0.994 . . . . 0.0 112.55 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -83.61 -133.17 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.202 1.001 . . . . 0.0 110.672 175.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -73.78 37.09 0.09 Allowed 'General case' 0 CA--C 1.559 1.302 0 O-C-N 120.025 -1.672 . . . . 0.0 114.856 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.86 158.63 43.85 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.377 2.271 . . . . 0.0 111.172 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 pp -160.36 164.31 32.55 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.722 1.609 . . . . 0.0 111.386 169.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 p -78.61 155.62 29.5 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.198 -1.564 . . . . 0.0 112.359 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -62.1 -24.25 67.01 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.759 -1.213 . . . . 0.0 113.862 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.08 -44.64 65.28 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.96 -1.087 . . . . 0.0 111.724 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.18 -31.33 71.65 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.672 0.789 . . . . 0.0 112.151 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD11 HD13 ' A' ' 60' ' ' LEU . 1.3 tm? -59.24 -48.98 79.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.189 1.396 . . . . 0.0 110.213 169.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.27 -32.7 74.39 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.729 -1.232 . . . . 0.0 111.799 175.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.57 -44.41 97.08 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.746 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.46 1.104 . . . . 0.0 110.779 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.83 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 117.868 0.304 . . . . 0.0 111.148 -176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -76.08 -23.54 55.0 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.614 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -87.58 -39.14 15.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 171.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -86.48 -56.53 3.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.111 0.869 . . . . 0.0 110.875 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.72 48.08 1.34 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.5 1.52 . . . . 0.0 110.747 -169.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 p -49.42 99.93 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.573 2.749 . . . . 0.0 114.008 -169.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.7 -11.7 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.71 1.204 . . . . 0.0 113.595 171.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.12 -52.14 3.3 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.948 1.737 . . . . 0.0 114.457 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 t -82.76 117.24 22.52 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.479 1.112 . . . . 0.0 112.165 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -65.88 -17.46 64.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.16 -19.32 64.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.553 1.141 . . . . 0.0 112.538 175.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -74.29 -13.38 60.76 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.654 0.782 . . . . 0.0 112.781 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -54.8 -33.59 61.68 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.148 1.34 . . . . 0.0 113.337 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -28.14 69.58 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.576 1.15 . . . . 0.0 113.479 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -80.85 -42.02 22.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.169 0.988 . . . . 0.0 110.299 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -64.33 -36.7 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.469 -0.769 . . . . 0.0 111.763 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.22 -31.13 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.784 1.174 . . . . 0.0 112.503 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -74.79 -31.39 61.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.226 0.921 . . . . 0.0 112.044 173.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -67.08 -40.33 86.96 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.465 -0.772 . . . . 0.0 110.995 169.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -64.18 -35.04 79.51 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.48 1.112 . . . . 0.0 111.755 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.6 -29.04 69.59 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.887 1.275 . . . . 0.0 113.426 169.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.67 -26.93 37.29 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.94 -1.1 . . . . 0.0 112.804 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 34' ' ' LEU . 1.9 mt -72.83 -36.09 67.41 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.308 -0.87 . . . . 0.0 110.384 169.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.16 -28.08 69.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.023 1.329 . . . . 0.0 112.099 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.04 -29.34 70.23 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.529 -0.732 . . . . 0.0 112.152 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -76.16 -35.8 59.03 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.689 0.677 . . . . 0.0 112.479 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -157.67 121.41 4.11 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.55 1.54 . . . . 0.0 110.611 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.27 130.59 46.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.418 1.487 . . . . 0.0 113.503 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 72.3 -43.55 0.57 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.497 2.719 . . . . 0.0 114.186 169.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -124.32 115.56 21.2 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.233 2.213 . . . . 0.0 108.651 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.72 118.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 125.277 1.431 . . . . 0.0 108.189 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -83.67 150.28 25.97 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.267 1.027 . . . . 0.0 110.449 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.61 -42.62 62.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.175 1.39 . . . . 0.0 114.567 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.54 -42.92 95.44 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 111.061 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.47 -27.09 62.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.848 1.259 . . . . 0.0 112.324 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.65 -45.53 78.71 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.461 1.104 . . . . 0.0 111.04 169.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.1 mt -70.17 -32.59 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.209 -0.932 . . . . 0.0 111.362 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.9 m -58.19 -38.53 76.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.387 1.075 . . . . 0.0 111.315 172.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -69.78 -41.6 74.92 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.56 0.744 . . . . 0.0 112.439 172.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.21 -27.8 66.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.351 0.978 . . . . 0.0 111.606 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.67 -27.52 73.28 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.079 1.323 . . . . 0.0 114.147 171.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.24 -44.04 18.35 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.099 1.449 . . . . 0.0 110.788 169.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -53.71 -43.46 69.02 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.072 1.349 . . . . 0.0 111.618 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.95 -27.66 45.3 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.687 1.595 . . . . 0.0 114.019 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -80.27 -31.47 38.36 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.578 1.151 . . . . 0.0 112.648 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.32 -35.83 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.145 0.978 . . . . 0.0 110.163 170.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.81 39.33 0.07 Allowed 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.543 2.337 . . . . 0.0 112.987 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.77 -22.97 10.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 128.589 2.756 . . . . 0.0 118.138 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.23 -19.13 65.82 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 121.368 1.894 . . . . 0.0 112.635 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.6 64.23 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.269 0.94 . . . . 0.0 113.414 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.67 -18.99 26.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.063 1.345 . . . . 0.0 111.536 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -89.53 -44.66 9.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.665 1.586 . . . . 0.0 112.034 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 C-N-CA 126.439 1.971 . . . . 0.0 112.283 -173.182 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.77 -13.89 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.1 p -49.41 -42.4 64.86 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -65.56 -27.56 53.58 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.926 2.417 . . . . 0.0 113.878 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 tp -82.64 -38.77 23.02 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.578 1.081 . . . . 0.0 112.169 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.14 -36.07 76.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.306 1.042 . . . . 0.0 112.492 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -72.17 -19.53 61.74 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 172.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.02 -54.47 5.04 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.553 1.069 . . . . 0.0 112.202 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.44 -35.88 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.42 -0.8 . . . . 0.0 111.145 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.7 -24.16 67.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 121.489 -0.757 . . . . 0.0 113.166 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -52.55 19.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.947 1.374 . . . . 0.0 109.551 176.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.58 -42.49 83.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.842 0.857 . . . . 0.0 111.241 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.27 -43.86 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.545 0.611 . . . . 0.0 111.08 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.75 -31.47 73.17 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.51 1.052 . . . . 0.0 112.897 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mt -69.01 -54.99 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.31 -59.1 5.64 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.793 1.237 . . . . 0.0 113.676 -172.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -69.94 -17.21 63.31 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -169.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.54 -38.35 80.8 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.734 -1.229 . . . . 0.0 112.673 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.403 ' CZ ' ' HA ' ' B' ' 37' ' ' LEU . 95.7 m-85 -79.02 -33.28 45.02 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -174.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -74.74 -40.41 61.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.071 0.851 . . . . 0.0 110.777 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.32 -16.06 13.45 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 126.237 1.875 . . . . 0.0 114.398 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.18 -35.79 70.02 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.124 1.369 . . . . 0.0 112.033 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -127.18 -24.54 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.235 1.414 . . . . 0.0 114.323 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.87 165.26 38.76 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-N 119.96 1.255 . . . . 0.0 114.664 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -74.58 -9.14 58.28 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.96 151.16 26.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.197 1.399 . . . . 0.0 113.547 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 33.44 1.82 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.137 1.775 . . . . 0.0 113.418 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -124.73 135.56 53.11 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.167 1.787 . . . . 0.0 110.123 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -108.23 129.75 55.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.538 1.135 . . . . 0.0 111.191 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -79.47 161.34 26.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.696 0.798 . . . . 0.0 112.457 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -48.97 -52.5 24.5 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.487 -1.383 . . . . 0.0 113.358 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -66.72 -31.28 71.84 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.804 1.642 . . . . 0.0 113.135 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.25 -35.68 58.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.441 1.896 . . . . 0.0 110.624 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.42 -42.09 75.48 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.558 1.143 . . . . 0.0 110.074 169.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -60.68 -36.33 78.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.734 -1.229 . . . . 0.0 111.711 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.02 -45.32 89.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.328 1.051 . . . . 0.0 112.141 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.403 ' HA ' ' CZ ' ' B' ' 19' ' ' TYR . 6.4 tt -52.81 -49.05 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.457 1.103 . . . . 0.0 111.927 170.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.92 -54.06 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 118.433 0.56 . . . . 0.0 111.812 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -65.07 -29.35 70.23 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -86.33 -46.6 10.14 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -85.52 -44.62 12.53 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.94 0.791 . . . . 0.0 111.231 -172.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.43 -69.73 0.56 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.305 0.957 . . . . 0.0 108.433 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t 139.95 -163.47 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.334 1 C-N-CA 132.931 4.493 . . . . 0.0 107.895 -176.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -149.01 -38.12 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 169.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.58 -44.43 1.72 Allowed Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.639 1.114 . . . . 0.0 115.205 173.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.7 p -158.1 156.44 30.99 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.821 1.31 . . . . 0.0 114.075 -175.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -66.13 -23.32 66.47 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.439 -0.788 . . . . 0.0 112.295 172.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.52 -34.12 73.81 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.5 1.12 . . . . 0.0 111.465 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -80.71 -31.51 36.1 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.005 0.522 . . . . 0.0 111.753 169.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.03 -32.79 72.4 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.834 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.59 -27.63 68.77 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.704 1.202 . . . . 0.0 113.324 169.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.77 -39.78 26.25 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.607 0.763 . . . . 0.0 110.768 170.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.8 -37.55 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.102 -0.952 . . . . 0.0 112.167 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.78 -30.54 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.416 1.462 . . . . 0.0 112.278 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -73.4 -38.14 65.71 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.479 -0.763 . . . . 0.0 112.094 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.35 -37.08 84.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.326 -0.859 . . . . 0.0 111.803 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -60.33 -39.05 85.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.013 0.925 . . . . 0.0 111.319 170.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.86 -31.61 72.93 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.348 1.059 . . . . 0.0 113.581 170.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.75 -20.28 58.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.321 1.048 . . . . 0.0 113.741 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -81.08 -43.19 19.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.477 1.111 . . . . 0.0 110.359 169.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.64 -18.92 61.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.02 1.728 . . . . 0.0 113.372 171.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -53.84 -33.2 55.53 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.155 1.382 . . . . 0.0 112.327 170.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.51 -42.08 68.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.943 0.897 . . . . 0.0 112.682 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -163.2 133.78 4.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.331 1.852 . . . . 0.0 110.793 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.58 136.17 47.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.884 0.873 . . . . 0.0 113.009 -174.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 76.04 -28.02 0.18 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 129.194 2.998 . . . . 0.0 113.075 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -153.69 140.9 19.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.0 1.72 . . . . 0.0 110.55 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.39 130.44 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.712 2.005 . . . . 0.0 108.802 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.94 159.26 26.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.844 0.83 . . . . 0.0 112.699 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.13 -56.15 1.51 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.862 2.465 . . . . 0.0 114.714 171.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.26 -35.79 82.0 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.485 1.039 . . . . 0.0 111.836 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.82 -32.68 65.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.63 1.172 . . . . 0.0 112.051 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.59 -44.46 90.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.063 0.945 . . . . 0.0 111.358 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 49.6 mm -63.87 -42.07 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 O-C-N 121.617 -0.677 . . . . 0.0 111.012 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.7 m -59.09 -45.1 91.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.236 1.414 . . . . 0.0 111.048 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.44 -41.58 96.48 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.172 0.589 . . . . 0.0 112.27 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.33 -28.78 68.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.291 0.95 . . . . 0.0 112.198 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.7 91.4 Favored Glycine 0 N--CA 1.468 0.812 0 CA-C-N 119.026 0.83 . . . . 0.0 112.589 170.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.54 95.11 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.926 0.863 . . . . 0.0 112.157 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.29 -46.4 88.65 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.683 1.193 . . . . 0.0 110.963 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.4 72.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.28 1.032 . . . . 0.0 112.545 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.6 ttt -69.28 -24.24 63.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.977 0.911 . . . . 0.0 112.78 175.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.25 -25.33 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.046 0.839 . . . . 0.0 111.205 173.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' TYR . . . . . 0.402 ' HA ' ' CE1' ' C' ' 200' ' ' TYR . 88.3 m-85 -73.38 44.41 0.15 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.693 1.235 . . . . 0.0 110.876 168.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.04 -14.63 50.45 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.793 2.037 . . . . 0.0 115.132 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -54.99 -34.22 63.21 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.821 1.191 . . . . 0.0 111.693 169.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.98 52.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.537 1.535 . . . . 0.0 114.536 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 70.2 mt -124.75 -19.24 5.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.0 2.12 . . . . 0.0 112.97 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -74.38 -37.0 63.57 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.954 1.701 . . . . 0.0 112.196 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.241 0 CA-C-O 117.65 -1.639 . . . . 0.0 112.828 -169.387 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 118.918 -0.563 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -162.94 166.27 24.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.942 1.697 . . . . 0.0 112.524 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 82.68 -15.67 29.72 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.219 1.39 . . . . 0.0 115.627 170.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.24 -69.2 0.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.054 1.342 . . . . 0.0 110.112 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -57.08 -29.26 63.32 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.336 1.055 . . . . 0.0 112.399 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.87 -23.7 67.45 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 63.2 t -95.95 -34.06 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.399 1.08 . . . . 0.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.57 -29.42 65.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.189 1.396 . . . . 0.0 111.798 173.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -57.38 -30.64 65.06 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.774 1.23 . . . . 0.0 112.582 170.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.48 -20.81 66.42 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.779 0.832 . . . . 0.0 112.732 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 23.9 mt -88.05 -45.59 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.096 1.359 . . . . 0.0 111.142 170.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 200' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' B' ' 84' ' ' TYR . 13.3 t80 -54.86 -39.89 69.12 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 177.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.92 -9.16 57.26 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -98.92 -46.6 5.57 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.358 1.463 . . . . 0.0 109.82 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 66.91 -153.69 52.76 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.317 1.437 . . . . 0.0 115.3 169.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -159.52 156.87 28.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.166 1.786 . . . . 0.0 110.605 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -95.47 -23.59 17.05 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.609 1.564 . . . . 0.0 112.36 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -76.03 -21.43 56.85 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.452 -0.78 . . . . 0.0 113.028 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 51.7 tpp -54.81 -46.0 74.45 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.331 1.052 . . . . 0.0 110.547 171.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -57.87 -39.73 78.51 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.445 1.098 . . . . 0.0 112.195 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -75.52 -33.77 60.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.099 0.96 . . . . 0.0 112.405 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 44.1 m -72.86 -38.13 67.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.298 1.039 . . . . 0.0 112.077 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.21 -45.76 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.745 0.702 . . . . 0.0 109.716 174.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.45 -48.95 79.68 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.507 -0.746 . . . . 0.0 112.179 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -49.45 -56.27 10.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.94 1.296 . . . . 0.0 111.278 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.72 -21.9 66.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -84.35 -39.63 18.88 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.683 0.674 . . . . 0.0 112.475 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 73.0 t -87.93 -31.81 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -169.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.71 -9.31 58.09 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -173.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 12.4 m -67.82 -16.99 64.36 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.577 1.551 . . . . 0.0 113.623 172.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.18 1.792 . . . . 0.0 113.168 -175.349 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -167.85 155.96 8.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.741 1.617 . . . . 0.0 111.116 -173.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.03 37.89 1.97 Allowed Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.482 1.515 . . . . 0.0 115.272 -170.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.87 -41.61 71.05 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.975 1.31 . . . . 0.0 113.121 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -57.63 -24.95 59.25 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 125.384 1.474 . . . . 0.0 113.719 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.62 -23.12 64.4 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.79 -38.68 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.455 1.102 . . . . 0.0 109.262 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.76 -36.21 82.34 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.749 1.62 . . . . 0.0 111.089 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.7 -36.19 69.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.397 1.079 . . . . 0.0 112.934 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.61 -24.27 66.57 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.129 -0.982 . . . . 0.0 112.677 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 18.6 mm -83.63 -39.43 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.78 1.232 . . . . 0.0 111.595 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -66.8 -39.01 87.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.637 0.732 . . . . 0.0 111.979 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.72 0.36 27.04 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.389 1.076 . . . . 0.0 113.523 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.97 -22.32 64.11 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.781 0.832 . . . . 0.0 112.088 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 94.77 148.49 24.21 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.943 1.735 . . . . 0.0 114.342 171.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -163.55 174.42 11.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.549 1.94 . . . . 0.0 110.527 174.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -133.62 -15.0 2.45 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.321 1.849 . . . . 0.0 113.344 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.48 -35.79 73.47 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.516 1.053 . . . . 0.0 113.591 -172.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 56.3 ttm -46.42 -46.71 18.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.704 1.202 . . . . 0.0 112.173 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.52 -22.41 66.71 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.067 0.947 . . . . 0.0 113.118 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.517 1.127 . . . . 0.0 111.139 171.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 77.2 m -65.23 -43.24 92.05 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.81 1.644 . . . . 0.0 112.726 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 27.6 mm -64.91 -41.07 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.741 0.701 . . . . 0.0 110.87 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.08 -50.14 74.9 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.862 0.465 . . . . 0.0 111.219 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -55.51 -55.75 28.26 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.273 -0.892 . . . . 0.0 112.118 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.22 -28.01 66.27 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.598 1.09 . . . . 0.0 113.719 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -76.33 -39.93 52.73 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.432 -0.792 . . . . 0.0 112.646 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 50.5 t -77.19 -42.4 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 125.367 1.467 . . . . 0.0 114.045 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -67.56 -11.73 58.75 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.204 1.802 . . . . 0.0 115.238 -169.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 6.4 p -148.3 127.78 13.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.06 1.344 . . . . 0.0 109.663 169.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.29 1.436 . . . . 0.0 112.619 -170.621 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 mmt . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.64 0.257 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.1 4.81 13.57 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -38.91 -50.2 4.04 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.548 2.339 . . . . 0.0 117.029 -169.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.66 -33.85 43.47 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 121.911 1.718 . . . . 0.0 113.095 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.73 -37.07 27.87 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.173 0.897 . . . . 0.0 112.687 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -60.73 -34.79 74.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.531 1.932 . . . . 0.0 112.405 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -72.51 -27.33 62.19 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.61 -48.04 13.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.554 1.07 . . . . 0.0 112.349 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -63.95 -34.83 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 121.383 -0.823 . . . . 0.0 110.883 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -24.23 66.93 Favored Glycine 0 C--N 1.345 1.049 0 C-N-CA 124.763 1.173 . . . . 0.0 113.178 171.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -51.65 20.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.989 1.395 . . . . 0.0 110.161 174.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.7 -40.63 79.96 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.13 -51.99 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.526 0.73 . . . . 0.0 110.481 172.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.87 -27.22 73.26 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.329 0.966 . . . . 0.0 114.154 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.9 mt -71.8 -57.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.445 1.098 . . . . 0.0 110.386 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -59.6 -46.01 90.2 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.406 1.003 . . . . 0.0 111.685 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -73.86 -11.68 60.44 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.29 -47.0 71.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 110.643 169.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.96 -36.71 27.67 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.106 1.362 . . . . 0.0 113.879 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -71.02 -22.56 62.13 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.807 -1.183 . . . . 0.0 112.575 174.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.36 76.72 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.255 0.931 . . . . 0.0 113.165 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -77.92 -47.65 18.17 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.586 1.193 . . . . 0.0 111.267 173.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -152.36 148.55 27.62 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.089 1.356 . . . . 0.0 111.888 -172.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.75 -170.99 48.67 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.438 1.494 . . . . 0.0 113.087 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.16 140.71 43.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.228 0.611 . . . . 0.0 109.4 169.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -60.24 -21.59 62.03 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -170.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -90.87 6.39 44.65 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 120.416 -1.427 . . . . 0.0 114.557 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.9 165.34 26.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.483 1.913 . . . . 0.0 112.516 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.8 mt -130.46 138.0 50.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.829 1.651 . . . . 0.0 108.589 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 m -77.61 149.96 34.71 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.956 -1.09 . . . . 0.0 109.041 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -57.88 -37.57 74.2 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.408 -1.432 . . . . 0.0 113.825 -170.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -68.34 -26.82 65.79 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -79.13 -35.27 42.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.36 1.064 . . . . 0.0 111.087 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -61.1 -44.07 97.91 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.078 0.951 . . . . 0.0 110.011 169.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.48 -41.83 77.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.685 -1.26 . . . . 0.0 111.929 171.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -50.23 74.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.636 0.774 . . . . 0.0 111.418 172.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.87 -52.28 50.72 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.263 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.65 -48.65 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.503 1.047 . . . . 0.0 111.911 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.55 -27.16 66.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.863 0.465 . . . . 0.0 112.201 -176.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -52.89 5.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.995 0.816 . . . . 0.0 112.894 174.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.3 -42.34 54.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.508 -169.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -84.16 -76.28 0.31 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.127 -0.939 . . . . 0.0 109.246 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t 153.77 -174.9 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 131.373 3.869 . . . . 0.0 108.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 tp -162.69 147.13 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 127.344 2.258 . . . . 0.0 111.084 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.98 -164.54 21.0 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.786 1.184 . . . . 0.0 113.088 171.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.7 m -77.31 53.35 1.01 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.268 1.427 . . . . 0.0 113.012 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 tptp 71.25 -27.2 0.17 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.923 2.889 . . . . 0.0 114.456 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -59.61 -31.88 69.89 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -75.19 -24.13 57.77 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.052 1.341 . . . . 0.0 112.4 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.47 -16.97 64.51 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 120.799 -1.188 . . . . 0.0 111.973 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 -27.44 68.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.229 1.412 . . . . 0.0 113.028 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.49 -40.54 25.94 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.162 0.585 . . . . 0.0 109.803 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.33 -28.36 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.388 -0.82 . . . . 0.0 112.607 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.16 -36.27 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-N 120.985 1.721 . . . . 0.0 112.209 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.57 -43.94 75.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.915 0.78 . . . . 0.0 111.551 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.07 -40.56 96.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.862 0.865 . . . . 0.0 112.37 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 ttp -58.54 -41.84 86.45 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.031 0.932 . . . . 0.0 111.05 172.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.3 -29.2 63.63 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.486 0.714 . . . . 0.0 112.846 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -73.02 -24.76 60.77 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.98 1.312 . . . . 0.0 112.653 171.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -80.47 -44.6 18.93 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.588 . . . . 0.0 111.418 170.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -61.21 -14.79 28.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.42 1.888 . . . . 0.0 113.772 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -49.63 -21.96 1.18 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.049 2.139 . . . . 0.0 112.745 169.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.85 -43.49 38.8 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.208 1.803 . . . . 0.0 113.91 169.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -156.66 -108.33 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.024 1.33 . . . . 0.0 112.345 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -134.87 -43.06 0.74 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.179 1.354 . . . . 0.0 114.651 -169.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -138.04 0.49 2.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.281 1.832 . . . . 0.0 112.128 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.21 150.8 43.16 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.045 1.738 . . . . 0.0 113.822 -169.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 t -107.51 139.97 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 128.763 2.825 . . . . 0.0 107.552 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -107.88 154.09 22.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.875 0.87 . . . . 0.0 111.519 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.88 -49.17 66.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -63.05 -39.85 95.97 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.896 0.771 . . . . 0.0 111.43 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -74.65 -31.58 61.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.873 1.269 . . . . 0.0 111.29 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.16 -44.97 95.44 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.97 0.908 . . . . 0.0 111.045 169.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.56 -38.11 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.534 -0.729 . . . . 0.0 111.3 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -57.91 -43.93 86.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.147 0.979 . . . . 0.0 110.891 172.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.63 -37.16 85.78 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 174.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.95 -26.73 68.96 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.852 1.205 . . . . 0.0 111.699 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.3 -35.82 77.52 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.036 0.827 . . . . 0.0 112.983 169.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -42.27 78.28 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.419 1.109 . . . . 0.0 111.526 170.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.43 -44.03 96.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 110.494 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -33.16 74.68 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.13 1.372 . . . . 0.0 113.507 172.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -68.84 -38.92 80.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.961 0.904 . . . . 0.0 111.625 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.94 -35.22 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.095 0.958 . . . . 0.0 112.059 170.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.93 42.42 0.07 Allowed 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 125.566 1.546 . . . . 0.0 112.382 169.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -52.18 -26.29 11.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.192 2.997 . . . . 0.0 116.649 -169.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.861 1.209 . . . . 0.0 111.776 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.28 -14.91 62.37 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.1 mt -102.8 6.05 39.07 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.824 2.05 . . . . 0.0 112.505 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.42 -38.74 5.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.448 1.499 . . . . 0.0 111.778 171.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 C-N-CA 125.701 1.619 . . . . 0.0 114.041 175.612 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 75.78 -51.37 0.63 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 129.612 3.165 . . . . 0.0 112.644 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -47.09 -45.81 53.5 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.563 1.545 . . . . 0.0 114.875 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.28 -43.92 21.24 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.956 2.437 . . . . 0.0 113.553 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 tp -78.3 -39.51 39.57 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.021 0.828 . . . . 0.0 111.277 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.44 -37.43 85.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.863 1.265 . . . . 0.0 112.535 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -74.06 -29.52 61.94 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.446 0.566 . . . . 0.0 112.339 172.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.81 41.45 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.566 1.075 . . . . 0.0 112.107 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -64.34 -34.27 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.143 -0.973 . . . . 0.0 110.514 172.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.84 -28.44 72.67 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.78 1.181 . . . . 0.0 113.801 171.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -51.87 53.99 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.177 1.489 . . . . 0.0 110.13 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.23 -41.26 83.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.148 0.979 . . . . 0.0 111.509 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.42 -42.66 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 118.534 0.606 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.16 -36.09 64.02 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.186 0.898 . . . . 0.0 113.293 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.88 -42.4 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.358 1.063 . . . . 0.0 110.906 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -76.4 -51.64 11.45 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -175.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -70.01 -25.07 63.42 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -169.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -54.15 -44.32 71.34 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.2 1.0 . . . . 0.0 112.681 171.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -81.5 -27.2 34.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.692 1.197 . . . . 0.0 113.667 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -64.64 -50.24 67.89 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.288 -0.882 . . . . 0.0 112.009 171.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.27 -9.36 87.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.684 1.135 . . . . 0.0 114.005 -175.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -57.94 -38.75 76.52 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.817 1.309 . . . . 0.0 113.048 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -108.64 3.84 23.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.082 1.353 . . . . 0.0 113.09 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.51 11.62 79.75 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.59 1.091 . . . . 0.0 115.135 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.22 172.25 13.85 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.073 1.349 . . . . 0.0 112.347 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 176.91 0.87 Allowed 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.998 -1.064 . . . . 0.0 112.377 170.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -67.82 73.06 0.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.638 1.975 . . . . 0.0 112.813 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -161.05 148.12 15.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.534 2.734 . . . . 0.0 108.671 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -121.43 133.05 55.06 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.581 1.153 . . . . 0.0 111.384 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.5 p -80.89 166.22 21.09 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.13 -0.981 . . . . 0.0 110.164 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -56.07 -42.87 77.36 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.323 -1.486 . . . . 0.0 113.009 -171.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -35.57 79.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.194 0.998 . . . . 0.0 113.441 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -75.18 -36.44 61.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.461 0.705 . . . . 0.0 110.874 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.11 -47.79 84.63 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.627 1.171 . . . . 0.0 109.949 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -56.6 -40.04 74.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.592 1.087 . . . . 0.0 112.048 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.49 -42.44 98.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.04 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.11 -59.28 5.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.921 0.782 . . . . 0.0 110.868 169.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.9 pt -68.65 -27.85 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -171.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -79.4 -39.36 32.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.632 1.105 . . . . 0.0 112.355 172.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -31.15 21.2 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.759 1.618 . . . . 0.0 112.874 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -85.7 -44.34 12.64 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.7 -1.25 . . . . 0.0 112.848 177.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.51 -6.85 24.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -173.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p 39.76 82.56 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 128.443 2.697 . . . . 0.0 114.744 169.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.29 -35.53 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.927 0.891 . . . . 0.0 110.14 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.53 -58.4 2.48 Favored Glycine 0 N--CA 1.477 1.396 0 C-N-CA 126.237 1.875 . . . . 0.0 115.166 169.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -73.54 -38.76 65.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.591 1.156 . . . . 0.0 112.377 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 64.07 7.82 3.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.753 2.021 . . . . 0.0 115.094 171.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.44 -27.63 69.12 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.012 -1.055 . . . . 0.0 112.266 170.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -90.8 11.54 22.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.71 1.204 . . . . 0.0 113.052 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.96 -23.03 67.21 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.062 -1.649 . . . . 0.0 112.604 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.13 72.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.68 1.192 . . . . 0.0 112.707 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -81.56 -31.84 32.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.756 0.822 . . . . 0.0 110.689 169.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.2 mm -61.34 -45.32 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.558 1.072 . . . . 0.0 111.82 172.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.98 -26.88 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.535 1.061 . . . . 0.0 112.973 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.07 -30.91 44.24 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.0 0.818 . . . . 0.0 112.703 169.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -41.67 96.07 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.947 1.248 . . . . 0.0 110.451 169.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.8 mtp -59.86 -39.42 85.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.933 0.893 . . . . 0.0 111.403 174.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.58 -29.33 62.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.021 1.328 . . . . 0.0 112.572 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.77 -25.4 49.07 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.333 1.053 . . . . 0.0 112.841 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.46 -51.18 25.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.25 1.42 . . . . 0.0 109.304 169.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.98 -18.52 60.7 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.833 1.653 . . . . 0.0 114.337 176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -52.68 -23.18 6.15 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.337 1.455 . . . . 0.0 112.894 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -59.4 -24.47 63.48 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -152.08 -101.53 0.05 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.423 1.489 . . . . 0.0 111.794 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.79 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -136.54 -5.4 2.01 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.182 0.993 . . . . 0.0 113.622 -176.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -161.41 162.32 30.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.185 1.394 . . . . 0.0 112.395 -169.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.1 t -117.75 112.09 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 126.612 1.965 . . . . 0.0 107.816 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -81.13 155.62 26.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 122.521 0.328 . . . . 0.0 110.415 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -50.56 -47.15 57.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -57.2 -43.09 82.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.968 0.804 . . . . 0.0 111.758 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -74.26 -29.72 61.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.755 0.822 . . . . 0.0 112.037 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.26 -42.17 96.59 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.635 -0.666 . . . . 0.0 111.905 170.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.82 -43.58 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.286 -0.884 . . . . 0.0 111.083 174.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.6 m -60.47 -38.53 84.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.972 0.909 . . . . 0.0 111.915 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.24 -39.34 92.57 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.791 . . . . 0.0 112.488 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.63 1.105 . . . . 0.0 111.891 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.74 94.2 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.92 0.771 . . . . 0.0 111.958 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.38 86.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.386 1.093 . . . . 0.0 112.04 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 20.3 tp -56.78 -42.75 79.98 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.418 1.487 . . . . 0.0 111.578 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.24 -36.53 75.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.57 0.748 . . . . 0.0 112.679 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.5 mtm -71.14 -27.42 63.55 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.458 1.026 . . . . 0.0 113.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.24 -43.17 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.364 0.984 . . . . 0.0 109.267 169.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -74.09 39.97 0.12 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.288 2.235 . . . . 0.0 113.29 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -52.84 -23.99 8.11 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.866 2.466 . . . . 0.0 116.194 -169.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.52 -31.14 72.05 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.169 1.349 . . . . 0.0 112.253 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.68 68.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.525 0.73 . . . . 0.0 112.754 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.93 -43.26 25.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.239 1.416 . . . . 0.0 110.097 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -61.07 -49.33 77.79 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.369 1.068 . . . . 0.0 112.366 175.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.351 0 C-N-CA 125.144 1.354 . . . . 0.0 113.275 -170.228 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -75.85 149.4 37.85 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.808 0.843 . . . . 0.0 112.399 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -87.31 149.72 22.18 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.794 1.188 . . . . 0.0 112.163 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.9 -33.82 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.813 1.245 . . . . 0.0 113.015 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -58.84 -30.67 67.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.979 1.312 . . . . 0.0 113.0 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -72.33 -13.17 61.42 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.694 1.134 . . . . 0.0 113.075 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 -47.36 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.747 1.219 . . . . 0.0 109.358 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.5 mt -68.22 -28.56 67.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.261 1.424 . . . . 0.0 113.978 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.0 -29.98 70.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.549 1.068 . . . . 0.0 111.911 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.31 -31.45 69.94 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.144 -0.973 . . . . 0.0 111.75 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.2 mp -77.2 -39.28 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.28 1.432 . . . . 0.0 111.145 172.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -54.84 -43.82 73.38 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.306 -0.871 . . . . 0.0 111.992 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.5 -0.35 37.07 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.11 -33.35 59.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.124 0.97 . . . . 0.0 112.533 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 166.5 155.35 8.85 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.819 1.2 . . . . 0.0 115.124 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -172.5 157.91 4.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.909 2.484 . . . . 0.0 110.757 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -159.45 -61.45 0.07 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.546 0.738 . . . . 0.0 112.36 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.95 -23.23 65.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.638 0.775 . . . . 0.0 112.831 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 55.1 ttm -41.16 -46.01 2.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.534 1.934 . . . . 0.0 113.611 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.2 -30.77 25.5 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.222 1.009 . . . . 0.0 112.933 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -83.4 -49.44 9.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 -173.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 99.1 m -61.03 -45.28 95.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.857 1.263 . . . . 0.0 112.831 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 39.1 pt -59.52 -30.59 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.156 0.983 . . . . 0.0 113.493 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -77.58 -45.64 24.62 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.634 0.774 . . . . 0.0 110.751 173.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -58.37 -48.06 81.82 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.169 -0.957 . . . . 0.0 112.12 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.59 70.99 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.811 0.845 . . . . 0.0 113.217 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -73.57 -46.38 47.7 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.408 0.683 . . . . 0.0 111.838 170.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -31.33 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 -170.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.42 -15.7 39.58 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.005 1.722 . . . . 0.0 113.705 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 67.9 m -91.78 -2.96 56.7 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.14 1.376 . . . . 0.0 112.861 179.148 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.877 0.37 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -155.72 126.61 6.97 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.077 1.351 . . . . 0.0 109.438 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -105.51 -0.5 40.26 Favored Glycine 0 N--CA 1.475 1.263 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 -169.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -55.82 -33.96 64.92 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.475 1.637 . . . . 0.0 113.746 -171.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.3 ptp -50.22 -30.97 12.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.008 1.323 . . . . 0.0 114.432 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -72.07 -20.91 61.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.06 -39.61 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.254 1.422 . . . . 0.0 108.844 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.93 -38.99 83.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.109 1.364 . . . . 0.0 110.703 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -58.26 -29.88 66.14 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.209 -0.932 . . . . 0.0 112.709 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -63.82 -18.57 64.25 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.993 -1.692 . . . . 0.0 113.404 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 16.8 mt -81.83 -34.35 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.701 1.2 . . . . 0.0 111.75 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -38.12 84.93 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.816 -1.178 . . . . 0.0 110.274 172.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.72 -0.5 15.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.915 1.686 . . . . 0.0 113.576 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -109.08 -43.41 4.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.552 1.541 . . . . 0.0 112.925 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -147.22 137.7 6.8 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.35 0.976 . . . . 0.0 114.341 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -173.9 120.2 0.29 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.526 2.33 . . . . 0.0 110.021 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -167.9 -58.58 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.646 1.178 . . . . 0.0 111.628 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -72.18 -26.9 62.25 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.9 ttm -53.26 -54.2 39.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.414 0.552 . . . . 0.0 109.663 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -64.49 -29.54 70.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.204 1.001 . . . . 0.0 112.458 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.969 0.908 . . . . 0.0 112.102 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 37.7 m -78.19 -42.35 31.76 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.612 1.565 . . . . 0.0 111.943 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.29 -46.93 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 118.969 0.804 . . . . 0.0 110.513 172.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -54.71 -59.51 4.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 111.755 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.2 -37.74 86.47 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.882 -1.136 . . . . 0.0 113.278 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.73 78.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -78.79 -37.3 41.2 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.559 0.743 . . . . 0.0 112.523 172.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.15 -35.64 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.498 1.119 . . . . 0.0 113.311 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -63.74 -59.28 4.77 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -169.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 31.9 p -169.98 150.14 3.77 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.472 1.109 . . . . 0.0 111.917 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.948 0 C-N-CA 126.388 1.875 . . . . 0.0 110.204 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 116.25 1.945 . . . . 0.0 116.25 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -41.99 -48.45 11.01 Favored Pre-proline 0 N--CA 1.471 0.609 0 N-CA-C 116.725 2.12 . . . . 0.0 116.725 -170.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -63.58 -44.47 13.98 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.203 1.935 . . . . 0.0 112.547 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.6 tp -78.95 -39.24 34.99 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.187 0.449 . . . . 0.0 111.436 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -62.0 -37.78 86.14 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.924 0.49 . . . . 0.0 110.851 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -74.79 -27.82 60.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.33 -45.53 62.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.551 1.069 . . . . 0.0 112.132 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.0 pt -66.13 -28.25 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 CA-C-N 119.331 0.969 . . . . 0.0 111.3 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.21 -30.2 76.34 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.168 1.366 . . . . 0.0 113.359 170.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -50.51 69.63 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.01 1.405 . . . . 0.0 110.03 172.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.02 -39.88 83.29 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.994 0.917 . . . . 0.0 111.74 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.09 -49.27 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 119.693 1.133 . . . . 0.0 111.317 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -26.83 73.65 Favored Glycine 0 C--N 1.341 0.82 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.86 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.69 -57.21 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.343 1.071 . . . . 0.0 109.587 168.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.55 -48.23 82.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.341 1.056 . . . . 0.0 113.158 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -72.76 -14.34 61.52 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -169.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -57.15 -43.92 82.93 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 121.066 -1.021 . . . . 0.0 111.475 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 93.5 m-85 -80.65 -34.15 35.1 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.703 1.201 . . . . 0.0 112.937 -170.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 p -72.08 -38.85 69.31 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.963 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.82 -12.29 20.57 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 126.317 1.913 . . . . 0.0 114.665 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt . . . . . 0 CA--C 1.547 0.838 0 C-N-CA 124.432 1.093 . . . . 0.0 112.962 169.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 pttt . . . . . 0 CA--C 1.544 0.718 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.465 ' CD2' HD21 ' A' ' 69' ' ' ASN . 0.4 OUTLIER -96.27 22.16 8.09 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.036 2.135 . . . . 0.0 113.671 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -127.61 158.16 38.26 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.083 2.153 . . . . 0.0 111.046 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.31 130.17 51.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.722 1.209 . . . . 0.0 110.204 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -76.53 155.23 33.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.245 0.618 . . . . 0.0 109.756 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -52.78 -37.9 60.31 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -169.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -77.98 -28.09 49.28 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.37 -34.93 61.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.674 1.189 . . . . 0.0 111.247 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.406 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.4 tm? -61.3 -46.46 90.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.705 1.602 . . . . 0.0 109.243 169.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.56 -37.03 84.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.032 -1.043 . . . . 0.0 112.609 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -49.51 76.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.488 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 8.6 tt -51.84 -51.04 59.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.916 1.234 . . . . 0.0 110.77 171.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.03 -50.24 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.297 0.953 . . . . 0.0 111.962 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -67.85 -33.11 74.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.485 1.039 . . . . 0.0 113.314 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -84.99 -27.23 26.59 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -83.9 -51.99 6.72 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.049 0.84 . . . . 0.0 111.524 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -101.26 79.83 2.03 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.243 1.817 . . . . 0.0 108.161 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 126.668 1.987 . . . . 0.0 113.882 -170.17 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.22 -28.89 68.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 121.45 1.932 . . . . 0.0 112.845 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.89 -27.19 68.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.464 1.106 . . . . 0.0 112.937 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.02 -34.76 32.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.622 0.769 . . . . 0.0 109.961 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.3 mm -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.215 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.12 -26.82 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 120.598 1.545 . . . . 0.0 112.657 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -77.92 -38.15 46.22 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.79 0.723 . . . . 0.0 112.402 169.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.6 -40.0 90.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.251 1.02 . . . . 0.0 110.903 173.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.5 ttp -59.76 -43.55 94.25 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.116 1.766 . . . . 0.0 111.339 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.68 -33.17 75.32 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.77 1.168 . . . . 0.0 113.184 172.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -68.72 -36.64 78.68 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.16 0.891 . . . . 0.0 112.458 172.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.98 -46.29 57.83 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.266 1.426 . . . . 0.0 111.743 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.64 -16.83 63.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.318 1.847 . . . . 0.0 113.251 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -62.61 -20.46 64.78 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.404 -0.81 . . . . 0.0 112.642 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -71.54 -42.91 67.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.113 0.965 . . . . 0.0 112.234 170.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -170.82 126.49 0.72 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 128.083 2.553 . . . . 0.0 110.703 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.84 -34.17 62.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -69.77 -51.0 37.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.108 0.963 . . . . 0.0 111.021 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -160.75 134.67 6.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.304 1.442 . . . . 0.0 110.91 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.4 t -90.46 124.2 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.803 1.641 . . . . 0.0 108.684 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.465 HD21 ' CD2' ' A' ' 27' ' ' HIS . 26.0 t-20 -79.03 151.18 31.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.22 0.608 . . . . 0.0 112.469 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -47.02 -43.46 19.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.894 1.678 . . . . 0.0 115.059 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -66.61 -40.36 88.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.912 0.778 . . . . 0.0 111.271 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -73.12 -32.33 64.86 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.295 1.038 . . . . 0.0 111.882 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.97 -39.1 88.3 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.27 -0.894 . . . . 0.0 110.661 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.71 -38.95 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.169 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -55.2 -40.01 70.28 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.371 1.441 . . . . 0.0 111.605 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -69.35 -42.04 75.81 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.356 0.663 . . . . 0.0 112.512 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.91 -28.15 69.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.05 0.841 . . . . 0.0 112.177 171.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.3 -41.33 96.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.104 0.859 . . . . 0.0 112.483 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.94 88.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.632 1.216 . . . . 0.0 111.615 170.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.56 -41.26 80.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.602 1.161 . . . . 0.0 112.127 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.76 -32.34 69.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.848 1.259 . . . . 0.0 112.678 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 ttt -74.31 -38.88 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.027 0.931 . . . . 0.0 112.269 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 52.5 mt -75.6 -12.86 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.296 1.839 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.56 -16.66 10.71 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.5 1.52 . . . . 0.0 114.3 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 72.03 -60.01 0.54 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 128.392 2.677 . . . . 0.0 114.088 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.32 -29.91 57.49 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.104 1.362 . . . . 0.0 112.189 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.22 90.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.043 0.937 . . . . 0.0 112.583 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.98 15.53 4.91 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.4 1.48 . . . . 0.0 113.157 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -121.41 -36.58 3.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.425 1.49 . . . . 0.0 113.13 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 C-N-CA 126.003 1.763 . . . . 0.0 113.938 173.793 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.35 -62.41 1.44 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.876 1.67 . . . . 0.0 114.552 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -43.12 90.98 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.85 -39.74 89.33 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.409 2.739 . . . . 0.0 114.387 169.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -74.32 -43.85 55.01 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.695 1.134 . . . . 0.0 111.651 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.53 -36.34 78.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.847 1.659 . . . . 0.0 112.311 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -74.65 -32.34 62.23 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 171.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -42.9 71.17 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.492 1.042 . . . . 0.0 112.063 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -66.03 -25.75 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 118.963 0.801 . . . . 0.0 111.371 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.91 -25.54 74.6 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.312 1.434 . . . . 0.0 113.888 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -47.52 73.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.256 1.528 . . . . 0.0 110.273 172.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.51 0.724 . . . . 0.0 111.569 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -74.18 -36.04 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.098 0.863 . . . . 0.0 112.07 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.08 -28.51 72.95 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.543 1.068 . . . . 0.0 112.715 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 mt -80.21 -56.58 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 110.638 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -62.72 -50.27 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -70.25 -19.99 63.1 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -168.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -63.67 -35.09 79.41 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.134 -0.978 . . . . 0.0 112.314 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -84.45 -47.02 11.07 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.729 1.212 . . . . 0.0 113.096 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -63.47 -41.56 98.59 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.392 0.996 . . . . 0.0 111.855 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.34 15.03 52.48 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.63 1.586 . . . . 0.0 114.832 178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.15 -28.07 66.98 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.385 1.592 . . . . 0.0 113.593 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -132.07 21.93 4.5 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.734 1.213 . . . . 0.0 113.495 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.17 -163.08 34.57 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.743 1.163 . . . . 0.0 113.872 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.59 3.46 44.29 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.658 1.583 . . . . 0.0 113.227 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -58.46 147.3 32.17 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.919 2.488 . . . . 0.0 114.818 -169.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -118.17 19.45 13.53 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.61 1.964 . . . . 0.0 114.12 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -124.3 156.35 37.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.378 2.271 . . . . 0.0 110.418 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.52 120.81 43.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.958 1.303 . . . . 0.0 110.752 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.8 t -78.62 173.17 12.7 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.148 0.975 . . . . 0.0 109.994 168.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.13 -38.66 71.11 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.687 -1.258 . . . . 0.0 113.453 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -70.67 -39.52 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -51.38 70.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.619 0.768 . . . . 0.0 110.807 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.14 -41.65 90.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 117.988 0.358 . . . . 0.0 110.557 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.36 -43.55 97.34 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.356 -0.84 . . . . 0.0 112.451 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -65.14 -38.22 89.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.431 0.692 . . . . 0.0 111.582 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.12 -52.68 64.54 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.598 1.159 . . . . 0.0 110.461 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.31 -52.36 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.697 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -64.26 -27.32 68.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.989 0.813 . . . . 0.0 113.129 -176.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -86.85 -50.4 6.74 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.915 1.234 . . . . 0.0 113.836 174.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -85.56 -35.52 21.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -169.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mp -108.21 -17.61 13.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.757 1.223 . . . . 0.0 113.104 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.312 26.4 p . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 127.386 2.274 . . . . 0.0 109.115 -169.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.15 -28.39 67.87 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.262 -1.524 . . . . 0.0 113.63 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.68 73.0 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.454 1.102 . . . . 0.0 112.787 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -80.69 -28.59 36.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.976 0.91 . . . . 0.0 111.232 170.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -64.28 -43.11 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 120.023 1.283 . . . . 0.0 111.56 171.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.81 -24.05 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.883 1.219 . . . . 0.0 113.259 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.43 -38.7 59.62 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.996 -1.065 . . . . 0.0 111.849 169.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -39.27 88.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.392 1.077 . . . . 0.0 111.36 169.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -62.54 -43.19 99.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.941 1.296 . . . . 0.0 111.864 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.33 -35.4 80.28 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.101 1.361 . . . . 0.0 112.309 174.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -72.91 -24.9 60.89 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.828 1.251 . . . . 0.0 113.394 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.35 -48.15 36.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.036 1.334 . . . . 0.0 110.651 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.35 -13.85 62.39 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -49.93 -28.92 7.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 113.057 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -67.87 -29.46 68.59 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -140.2 -19.02 0.89 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -169.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.26 35.26 6.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.825 2.05 . . . . 0.0 113.654 170.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -166.02 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.576 1.55 . . . . 0.0 110.131 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -156.99 142.9 17.81 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.83 1.652 . . . . 0.0 110.531 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 p -92.69 135.0 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.549 1.14 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -91.33 160.86 15.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.28 1.032 . . . . 0.0 112.635 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.84 -48.57 69.83 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -169.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -67.28 -35.8 80.24 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.225 0.92 . . . . 0.0 111.537 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -70.14 -38.25 75.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.251 1.42 . . . . 0.0 111.04 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.62 -43.65 93.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.003 0.921 . . . . 0.0 111.467 169.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.9 mt -69.64 -37.56 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.387 -0.82 . . . . 0.0 112.061 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -59.89 -42.13 93.1 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.18 0.992 . . . . 0.0 111.177 173.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.45 -38.53 87.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.543 0.737 . . . . 0.0 112.301 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.02 -26.31 68.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.527 1.058 . . . . 0.0 111.943 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -36.82 87.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.336 0.97 . . . . 0.0 112.973 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.26 73.59 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.341 1.071 . . . . 0.0 112.155 170.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.11 -41.43 99.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.896 0.878 . . . . 0.0 111.398 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.808 1.243 . . . . 0.0 112.571 171.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.46 -28.49 68.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.18 0.992 . . . . 0.0 113.195 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.0 -31.89 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.894 -1.129 . . . . 0.0 112.233 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -78.23 50.22 0.89 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.49 1.116 . . . . 0.0 111.271 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.58 -28.67 56.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.158 1.783 . . . . 0.0 115.805 -169.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.99 -40.16 92.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.2 0.909 . . . . 0.0 112.219 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.66 65.78 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.15 0.98 . . . . 0.0 113.15 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.1 mt -103.29 18.12 22.5 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.233 2.213 . . . . 0.0 112.326 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.573 1.549 . . . . 0.0 111.952 173.559 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 CA-C-O 119.635 -0.536 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.95 -65.39 0.57 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.535 1.934 . . . . 0.0 111.092 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -56.13 -29.41 60.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.118 0.967 . . . . 0.0 112.873 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.72 -16.15 63.28 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.77 -40.95 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 120.048 1.295 . . . . 0.0 108.78 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.6 -35.44 80.99 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.242 1.817 . . . . 0.0 111.69 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.66 -22.95 58.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.625 1.17 . . . . 0.0 113.31 174.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -69.83 -24.09 63.4 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.577 -1.327 . . . . 0.0 113.066 174.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.3 mp -80.08 -27.56 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.988 1.315 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -54.12 -37.82 64.75 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.906 -1.121 . . . . 0.0 112.562 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.49 0.56 10.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.58 1.952 . . . . 0.0 114.312 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.86 -30.55 67.81 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.092 1.357 . . . . 0.0 113.253 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 89.28 26.5 25.61 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 115.789 1.075 . . . . 0.0 115.789 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -62.91 154.86 28.91 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 118.819 1.309 . . . . 0.0 113.989 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.88 -16.54 7.58 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 128.056 2.543 . . . . 0.0 113.426 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -87.99 -32.98 18.56 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.158 1.345 . . . . 0.0 114.586 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -59.24 -46.76 87.63 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.198 0.999 . . . . 0.0 111.682 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -18.58 65.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 174.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -82.59 -39.15 22.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.566 1.076 . . . . 0.0 111.525 169.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 67.9 m -72.84 -36.56 67.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.847 1.259 . . . . 0.0 111.969 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.2 -47.4 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 118.378 0.535 . . . . 0.0 110.169 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -59.36 -45.72 90.62 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.848 0.459 . . . . 0.0 111.53 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.68 -46.94 80.86 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.046 -1.034 . . . . 0.0 112.23 173.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.79 66.4 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.7 m95 . . . . . 0 CA--C 1.545 0.776 0 C-N-CA 123.479 0.711 . . . . 0.0 111.338 168.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.033 0 CA-C-O 119.7 -0.5 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 27.1 tp -48.82 -67.48 0.26 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -26.31 32.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.686 1.194 . . . . 0.0 114.193 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -76.3 -19.02 58.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.156 0.889 . . . . 0.0 113.166 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.96 -36.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.666 1.187 . . . . 0.0 109.026 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.77 -30.06 68.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.229 1.412 . . . . 0.0 111.937 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.71 -35.63 66.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.38 1.072 . . . . 0.0 112.049 169.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -65.26 -17.19 64.3 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.711 -1.243 . . . . 0.0 112.821 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.17 -39.76 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.36 1.464 . . . . 0.0 111.796 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -51.63 -47.54 63.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 0.0 110.83 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.69 -0.13 32.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -107.52 -22.9 12.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.36 1.464 . . . . 0.0 113.552 171.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -61.9 153.4 41.49 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.846 1.212 . . . . 0.0 113.582 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -80.89 0.08 36.81 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 78.41 7.5 2.36 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.683 2.793 . . . . 0.0 114.071 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.03 -22.28 66.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.732 -1.23 . . . . 0.0 113.026 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 9.4 tpp -44.91 -64.96 0.59 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.176 1.79 . . . . 0.0 109.512 169.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -66.48 -27.25 67.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -68.59 -48.27 64.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.068 0.849 . . . . 0.0 110.574 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.8 m -66.28 -39.23 89.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.283 1.433 . . . . 0.0 111.514 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.03 -53.13 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.395 0.678 . . . . 0.0 110.612 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -64.56 -33.79 76.73 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.97 -55.49 32.31 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.766 1.166 . . . . 0.0 111.357 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.5 -29.32 64.21 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.842 1.257 . . . . 0.0 113.632 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 31.1 m0 . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 125.724 1.61 . . . . 0.0 113.56 175.864 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.722 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -39.45 -48.38 4.8 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.96 -33.74 25.28 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.822 1.682 . . . . 0.0 112.838 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.8 tp -80.63 -39.85 26.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.236 0.926 . . . . 0.0 111.742 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.51 -35.97 79.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.387 1.475 . . . . 0.0 112.475 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -73.02 -25.43 60.96 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 171.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.17 -45.47 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.944 1.247 . . . . 0.0 112.388 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.1 pt -64.64 -32.9 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.396 0.998 . . . . 0.0 111.204 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.4 71.53 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.476 1.036 . . . . 0.0 113.91 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -50.89 44.85 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.907 1.353 . . . . 0.0 110.203 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.13 -40.17 88.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.117 0.967 . . . . 0.0 111.731 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -69.13 -42.65 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.84 0.745 . . . . 0.0 110.7 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.64 89.92 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.294 0.949 . . . . 0.0 112.425 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mt -67.82 -54.02 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.286 1.035 . . . . 0.0 110.736 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.86 -50.68 61.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.607 1.094 . . . . 0.0 113.268 -173.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -70.47 -21.17 62.81 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.18 -42.8 91.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.943 -1.098 . . . . 0.0 112.369 169.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.51 -30.43 29.83 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.1 p -75.5 -42.76 52.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.956 1.253 . . . . 0.0 112.015 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.43 58.02 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.518 1.532 . . . . 0.0 113.993 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.123 1.369 . . . . 0.0 112.124 169.728 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.79 0.805 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -80.25 48.51 1.02 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.558 1.543 . . . . 0.0 112.757 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 p -139.19 150.34 45.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.083 2.153 . . . . 0.0 109.665 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.22 143.71 42.84 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.943 1.297 . . . . 0.0 110.152 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -80.41 146.68 31.34 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 167.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -62.19 -22.86 66.25 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -75.54 -29.41 59.41 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -78.39 -30.51 47.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.582 1.153 . . . . 0.0 111.204 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.5 tm? -58.97 -47.22 85.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.807 0.843 . . . . 0.0 110.258 169.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 35' ' ' LYS . 47.2 mtpt -57.34 -39.15 75.33 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.435 -0.791 . . . . 0.0 111.746 173.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.65 -46.94 88.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.566 0.746 . . . . 0.0 111.287 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -54.84 -52.31 63.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.326 1.051 . . . . 0.0 111.083 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.78 -40.03 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.951 -0.468 . . . . 0.0 112.21 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -74.7 -27.57 60.45 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.264 -0.897 . . . . 0.0 112.352 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -85.52 -44.69 12.47 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.02 -53.82 4.85 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.095 0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.4 52.44 1.02 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.004 1.322 . . . . 0.0 111.763 -169.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.47 0.547 0 C-N-CA 124.749 1.22 . . . . 0.0 110.89 178.638 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.75 -38.79 61.48 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -168.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.4 68.27 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.48 -39.92 27.12 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.367 0.531 . . . . 0.0 110.791 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.21 -31.97 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.062 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.38 -36.25 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.248 1.385 . . . . 0.0 111.931 173.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -75.26 -39.24 60.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.568 0.622 . . . . 0.0 112.619 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.12 -36.35 82.91 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.152 0.887 . . . . 0.0 111.812 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -58.98 -39.58 82.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.66 1.184 . . . . 0.0 111.184 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.46 -36.75 85.18 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.252 0.933 . . . . 0.0 113.409 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -70.02 -24.58 63.31 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.318 1.417 . . . . 0.0 113.767 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.95 -44.84 17.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.634 1.574 . . . . 0.0 112.26 170.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -73.15 -25.38 60.79 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.142 1.777 . . . . 0.0 113.769 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -11.09 16.89 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -78.73 -19.49 52.24 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 119.901 1.228 . . . . 0.0 113.942 170.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -136.33 -129.41 0.14 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.578 1.951 . . . . 0.0 111.431 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -141.22 -42.84 0.38 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -138.76 -8.47 1.41 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.512 1.525 . . . . 0.0 113.213 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.56 157.76 45.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.247 1.819 . . . . 0.0 112.645 -169.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.07 111.53 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.053 1.741 . . . . 0.0 108.628 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -80.61 149.18 29.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.234 1.414 . . . . 0.0 112.031 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.7 -48.0 72.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.35 -38.72 90.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.26 0.936 . . . . 0.0 111.035 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.85 -34.78 74.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.832 1.253 . . . . 0.0 111.928 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -61.01 -39.78 91.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.99 0.916 . . . . 0.0 110.433 169.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.9 mt -71.65 -39.29 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.601 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -56.96 -42.27 79.82 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 120.271 1.396 . . . . 0.0 110.86 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -66.57 -38.36 86.9 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt -63.43 -17.1 62.33 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.485 1.039 . . . . 0.0 112.167 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.44 -37.29 69.54 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 119.627 1.103 . . . . 0.0 111.639 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.57 69.99 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 117.938 0.869 . . . . 0.0 111.572 169.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.75 -16.64 63.35 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.105 0.962 . . . . 0.0 112.974 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -82.72 -44.53 15.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.128 1.371 . . . . 0.0 110.38 168.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 60.6 ttp -66.14 -33.4 75.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.748 1.219 . . . . 0.0 113.437 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 tp -52.73 -31.6 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.76 -23.73 66.36 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 65.86 -60.9 0.28 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.998 2.919 . . . . 0.0 114.665 169.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -60.66 -35.3 75.89 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.316 1.846 . . . . 0.0 111.803 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -17.96 63.81 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -108.13 17.29 22.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.848 1.659 . . . . 0.0 113.043 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.2 -29.95 13.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.979 -1.076 . . . . 0.0 113.186 170.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.386 0 C-N-CA 125.712 1.625 . . . . 0.0 113.388 -178.526 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.42 50.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.6 p -52.43 -39.92 70.6 Favored Pre-proline 0 CA--C 1.548 0.895 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.05 -34.8 27.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.578 2.185 . . . . 0.0 113.523 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.37 -41.68 55.84 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.122 1.328 . . . . 0.0 111.001 174.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.25 -44.0 79.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.375 1.47 . . . . 0.0 112.258 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.16 -19.85 61.03 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.76 -48.99 12.7 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.46 1.027 . . . . 0.0 112.381 172.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -61.69 -37.18 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.553 1.07 . . . . 0.0 110.88 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.66 70.67 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.739 1.161 . . . . 0.0 113.757 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -53.34 44.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.76 1.28 . . . . 0.0 110.249 173.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.0 -40.62 85.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.347 1.059 . . . . 0.0 111.61 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.459 HD11 ' HB1' ' A' ' 81' ' ' ALA . 47.5 mt -66.21 -46.08 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.959 0.8 . . . . 0.0 111.032 176.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.05 -32.59 69.45 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.803 1.192 . . . . 0.0 113.214 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.57 -42.85 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.073 0.949 . . . . 0.0 110.715 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -72.15 -59.57 2.67 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -66.68 -26.1 66.87 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -54.1 -38.01 64.91 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.66 1.184 . . . . 0.0 113.704 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -80.5 -24.01 39.7 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -58.86 -20.97 55.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.708 1.203 . . . . 0.0 114.191 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.41 83.1 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.193 0.902 . . . . 0.0 114.594 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -68.12 -52.18 37.84 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.289 1.544 . . . . 0.0 110.904 170.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -88.37 -21.34 24.38 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.253 0.621 . . . . 0.0 112.615 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.96 27.58 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.182 1.372 . . . . 0.0 114.078 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -96.35 169.61 9.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.255 1.822 . . . . 0.0 113.235 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -94.31 -120.76 0.1 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.176 1.391 . . . . 0.0 110.592 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -81.94 46.31 0.99 Allowed 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.672 -1.892 . . . . 0.0 113.983 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t -154.71 144.44 21.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.997 1.719 . . . . 0.0 110.296 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -117.81 142.86 46.82 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.77 1.228 . . . . 0.0 111.83 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -78.13 171.11 15.53 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.288 -0.882 . . . . 0.0 112.702 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -63.56 -46.04 87.72 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.724 -1.235 . . . . 0.0 112.574 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -73.1 -30.76 63.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.761 0.824 . . . . 0.0 112.964 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.9 -34.88 71.99 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.733 1.213 . . . . 0.0 111.688 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.89 -44.78 79.96 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.635 1.174 . . . . 0.0 109.816 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.68 -37.59 82.11 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.867 -1.146 . . . . 0.0 112.194 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.27 -48.86 80.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.703 1.201 . . . . 0.0 111.758 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.62 -54.94 26.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.603 0.761 . . . . 0.0 110.944 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -60.75 -47.72 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.304 0.502 . . . . 0.0 111.732 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -70.3 -23.06 62.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.89 -47.72 8.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.348 1.431 . . . . 0.0 113.861 169.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -85.58 -27.96 25.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.059 0.845 . . . . 0.0 113.224 -170.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.57 46.17 1.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.239 1.816 . . . . 0.0 109.237 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.468 0.464 0 C-N-CA 126.63 1.972 . . . . 0.0 113.819 -171.19 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.23 -23.33 67.38 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.215 -1.553 . . . . 0.0 111.699 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -30.66 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.536 1.534 . . . . 0.0 112.685 169.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.64 -38.89 38.51 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.714 0.806 . . . . 0.0 110.731 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.16 -42.62 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.121 0.569 . . . . 0.0 111.472 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.43 -29.86 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.165 0.893 . . . . 0.0 112.34 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -75.13 -35.39 61.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.118 0.872 . . . . 0.0 112.258 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.78 -37.18 84.08 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.583 -0.698 . . . . 0.0 111.504 171.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -61.49 -40.67 95.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.852 0.861 . . . . 0.0 111.403 170.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.76 -36.94 84.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.1 0.96 . . . . 0.0 113.083 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.05 -18.31 60.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.938 1.245 . . . . 0.0 113.436 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -81.08 -45.41 16.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.529 1.132 . . . . 0.0 110.3 169.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.13 -17.35 64.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.987 1.715 . . . . 0.0 113.409 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.19 -24.47 64.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.187 1.795 . . . . 0.0 112.571 172.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -81.66 -43.95 17.84 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.812 . . . . 0.0 112.421 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -143.11 119.1 10.65 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.783 2.033 . . . . 0.0 109.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -79.69 7.93 7.55 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.97 -71.63 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.263 1.025 . . . . 0.0 110.303 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -124.17 141.05 52.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 108.549 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -88.09 115.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.209 1.003 . . . . 0.0 110.636 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.69 153.29 31.05 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.927 0.891 . . . . 0.0 111.709 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -48.9 -43.27 39.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.013 1.325 . . . . 0.0 114.368 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -60.05 -42.37 94.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.812 0.733 . . . . 0.0 111.796 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -75.27 -33.6 61.28 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.063 0.945 . . . . 0.0 111.378 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.91 -44.58 89.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.512 1.125 . . . . 0.0 111.776 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.99 -45.22 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.926 0.784 . . . . 0.0 110.668 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.7 m -59.95 -41.17 91.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.421 1.088 . . . . 0.0 111.706 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -68.47 -40.47 80.98 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.216 1.006 . . . . 0.0 112.144 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.22 -23.06 66.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.33 0.968 . . . . 0.0 112.327 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.12 84.07 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-N 119.148 0.886 . . . . 0.0 112.21 169.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.5 69.46 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.158 0.979 . . . . 0.0 112.943 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -64.64 -46.42 82.6 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.424 0.689 . . . . 0.0 110.835 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.93 -31.3 69.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.129 0.971 . . . . 0.0 113.359 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.2 ptm -80.88 -11.47 59.58 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.8 tp -67.53 -31.17 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 120.859 1.663 . . . . 0.0 111.438 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . 0.4 ' HA ' ' CE1' ' C' ' 200' ' ' TYR . 97.1 m-85 -69.61 50.15 0.1 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.835 2.054 . . . . 0.0 113.598 175.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -56.32 -19.86 16.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.895 1.678 . . . . 0.0 115.125 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -55.04 -33.87 63.05 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.727 1.148 . . . . 0.0 112.185 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.38 -21.25 64.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.584 1.153 . . . . 0.0 113.834 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -98.87 -3.31 35.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.363 1.465 . . . . 0.0 112.929 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.547 0.829 0 C-N-CA 124.764 1.226 . . . . 0.0 113.688 -179.384 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.155 0 CA-C-O 121.407 0.448 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.6 pp -59.58 -27.7 66.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 113.498 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.65 -30.86 23.22 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.018 1.327 . . . . 0.0 113.079 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -71.05 -10.82 60.41 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.36 -41.46 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.574 1.55 . . . . 0.0 108.544 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.3 -42.65 99.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.156 1.782 . . . . 0.0 111.097 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 66.9 tttm -54.7 -37.22 65.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.65 1.18 . . . . 0.0 112.698 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -64.65 -25.18 67.84 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.085 -1.009 . . . . 0.0 112.523 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 59.1 mt -93.87 -42.3 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.467 1.507 . . . . 0.0 110.739 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . 0.4 ' CE1' ' HA ' ' B' ' 84' ' ' TYR . 18.8 t80 -52.93 -44.08 66.77 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.341 1.456 . . . . 0.0 112.562 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -82.48 -0.96 48.82 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.634 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -109.62 -30.23 8.0 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.998 1.719 . . . . 0.0 112.94 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -91.22 -157.97 34.22 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 125.713 1.625 . . . . 0.0 116.1 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.77 155.7 25.93 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.991 2.516 . . . . 0.0 115.659 -169.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.43 3.96 3.11 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.478 1.911 . . . . 0.0 112.851 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -65.49 -19.1 65.79 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.773 -1.205 . . . . 0.0 113.303 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 35.8 tpp -35.78 -56.93 0.68 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 128.171 2.588 . . . . 0.0 111.932 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.14 -25.03 67.58 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 33.8 mtm105 -72.54 -34.41 67.52 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.941 0.896 . . . . 0.0 111.544 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 43.4 m -66.44 -44.05 83.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.148 0.979 . . . . 0.0 110.819 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.34 -50.12 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.289 0.636 . . . . 0.0 110.829 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -54.95 -51.29 66.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.87 0.468 . . . . 0.0 111.592 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -57.57 -49.05 77.67 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.233 -0.917 . . . . 0.0 112.383 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.78 68.64 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.0 m0 . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 124.408 1.083 . . . . 0.0 111.815 174.292 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.351 0 N-CA-C 115.648 1.019 . . . . 0.0 115.648 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 43.2 tp -55.85 -67.59 0.28 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.556 1.943 . . . . 0.0 111.72 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.23 -25.98 64.49 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -63.09 -20.9 65.79 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.926 -1.109 . . . . 0.0 113.886 172.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.64 -33.65 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.842 1.257 . . . . 0.0 109.591 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.89 -30.18 66.47 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.495 1.518 . . . . 0.0 111.486 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -55.22 -34.14 63.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.267 1.027 . . . . 0.0 112.0 171.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.91 -24.94 66.39 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.003 . . . . 0.0 113.276 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 28.1 mm -91.08 -47.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.45 1.5 . . . . 0.0 110.661 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -50.36 -45.75 55.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.915 1.286 . . . . 0.0 113.108 173.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.24 -1.88 28.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -85.23 -16.3 40.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.615 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 167.63 117.81 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.215 0.912 . . . . 0.0 114.795 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.84 -7.43 20.51 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.435 1.894 . . . . 0.0 113.42 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . 0.463 ' HA ' ' HE2' ' D' ' 208' ' ' LYS . 27.7 t70 -64.17 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 117.422 2.378 . . . . 0.0 117.422 -168.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -92.71 -25.94 18.0 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 40.3 tpp -57.92 -52.19 66.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.996 0.918 . . . . 0.0 110.357 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' D' ' 205' ' ' ASP . 29.8 pttt -60.32 -24.33 64.92 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 176.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -76.87 -40.79 46.34 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.39 0.996 . . . . 0.0 110.959 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.4 m -64.11 -46.08 85.77 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.114 1.366 . . . . 0.0 111.148 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.05 -49.38 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 122.839 0.456 . . . . 0.0 111.007 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -55.3 -48.87 73.47 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.61 0.641 . . . . 0.0 112.058 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.22 -52.43 64.47 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.078 -1.014 . . . . 0.0 112.1 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.54 68.83 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.4 m95 . . . . . 0 CA--C 1.538 0.501 0 C-N-CA 124.413 1.085 . . . . 0.0 113.441 176.379 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -71.19 -31.77 2.08 Favored Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 118.83 2.9 . . . . 0.0 118.83 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -71.18 -41.55 2.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 123.153 2.162 . . . . 0.0 114.157 -169.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.07 -36.96 40.02 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.563 1.074 . . . . 0.0 111.301 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.46 -40.17 81.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.806 1.242 . . . . 0.0 112.493 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.61 -33.51 72.78 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.448 0.567 . . . . 0.0 112.287 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.46 66.7 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.383 0.992 . . . . 0.0 112.751 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.2 pt -67.28 -29.78 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.377 -0.827 . . . . 0.0 111.333 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.97 88.66 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.465 1.031 . . . . 0.0 113.017 170.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -54.01 43.16 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.012 1.325 . . . . 0.0 110.916 175.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.61 -42.58 67.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.883 1.673 . . . . 0.0 112.452 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.8 mt -65.24 -48.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.504 0.593 . . . . 0.0 111.195 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.74 -28.71 71.76 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.092 0.853 . . . . 0.0 113.405 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 mt -72.07 -47.21 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.398 1.099 . . . . 0.0 111.374 170.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -63.21 -47.44 82.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.37 -22.56 61.12 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -169.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.26 -44.19 71.62 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.186 0.903 . . . . 0.0 112.048 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.61 -36.85 23.58 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.903 1.281 . . . . 0.0 113.378 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 t -64.75 -44.13 91.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.14 4.85 85.4 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.49 1.043 . . . . 0.0 114.704 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm . . . . . 0 N--CA 1.477 0.91 0 CA-C-N 119.039 1.419 . . . . 0.0 114.184 -169.762 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 pttp . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -119.1 31.19 6.75 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.96 1.304 . . . . 0.0 112.891 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.0 p -135.87 147.68 48.31 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.306 1.842 . . . . 0.0 111.416 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -111.92 123.1 49.52 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.905 1.282 . . . . 0.0 110.309 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.2 m -77.89 168.06 20.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.018 0.527 . . . . 0.0 111.087 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -56.58 -47.55 79.31 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.7 -1.875 . . . . 0.0 114.613 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -70.84 -40.37 72.42 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.191 -0.943 . . . . 0.0 111.885 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.36 -33.66 75.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.629 1.571 . . . . 0.0 112.041 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.77 -50.59 49.15 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.961 1.704 . . . . 0.0 110.295 169.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -54.26 -38.22 65.57 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.76 1.164 . . . . 0.0 112.852 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -56.01 -52.71 63.24 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.097 0.862 . . . . 0.0 110.648 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -55.59 -55.85 27.25 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.665 0.786 . . . . 0.0 111.084 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -70.61 -17.71 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.003 1.274 . . . . 0.0 114.378 -174.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -82.16 -43.38 17.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.047 1.294 . . . . 0.0 111.846 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -85.2 -36.63 20.88 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.67 -54.96 4.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 109.67 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.7 51.85 2.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.044 0.937 . . . . 0.0 110.139 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 127.857 2.463 . . . . 0.0 112.755 -169.779 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 120.448 0.166 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.33 -25.39 68.28 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.271 -1.518 . . . . 0.0 113.144 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.61 71.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.44 1.096 . . . . 0.0 112.804 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -81.09 -34.22 32.81 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.641 0.776 . . . . 0.0 111.345 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -62.14 -43.9 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.638 0.775 . . . . 0.0 111.488 175.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.3 -30.67 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 CA-C-N 119.262 0.937 . . . . 0.0 112.286 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -79.24 -31.38 43.55 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.008 0.822 . . . . 0.0 112.356 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.95 -43.89 81.99 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 169.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -58.62 -41.83 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.838 0.855 . . . . 0.0 112.058 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.39 -35.39 80.8 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.068 0.947 . . . . 0.0 112.937 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.07 -33.63 70.42 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.224 -0.922 . . . . 0.0 112.965 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.21 -44.02 76.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.299 1.439 . . . . 0.0 111.307 169.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.75 -32.82 74.58 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.262 1.425 . . . . 0.0 113.242 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -5.94 43.68 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.438 1.017 . . . . 0.0 113.702 172.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.94 -34.73 44.18 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.18 0.9 . . . . 0.0 110.85 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -159.6 120.16 3.1 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.069 1.748 . . . . 0.0 111.069 169.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.78 131.94 50.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.504 1.922 . . . . 0.0 114.404 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 77.19 -36.2 0.24 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 130.025 3.33 . . . . 0.0 113.532 170.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 131.81 18.14 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.717 0.807 . . . . 0.0 111.056 169.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -94.45 123.16 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.384 1.474 . . . . 0.0 108.392 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -78.74 162.23 26.3 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 111.087 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.95 -41.76 64.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.92 -48.58 81.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.005 0.522 . . . . 0.0 110.957 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -70.56 -30.34 67.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.303 1.041 . . . . 0.0 112.385 -175.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.69 -41.73 95.73 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.44 0.696 . . . . 0.0 110.797 169.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.38 -35.98 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.418 -0.801 . . . . 0.0 112.429 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.1 m -54.93 -45.03 74.77 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.389 0.995 . . . . 0.0 110.904 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -63.35 -42.74 98.93 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.78 -22.49 65.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.549 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.04 -38.0 94.88 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 119.19 0.905 . . . . 0.0 112.734 169.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.7 -43.77 68.32 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 118.09 0.945 . . . . 0.0 111.509 171.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.94 -45.88 78.67 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.203 0.601 . . . . 0.0 111.431 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.989 1.316 . . . . 0.0 113.501 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.9 tpt -73.65 -37.09 65.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.914 0.779 . . . . 0.0 111.666 170.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -31.56 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.674 0.79 . . . . 0.0 111.448 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -69.4 42.31 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.629 1.572 . . . . 0.0 112.624 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -58.24 -19.44 34.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.751 2.02 . . . . 0.0 115.701 -169.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.67 -26.15 55.69 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.709 1.14 . . . . 0.0 112.928 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.36 -25.29 67.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.85 1.26 . . . . 0.0 113.499 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.05 -29.7 15.67 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.912 1.285 . . . . 0.0 110.953 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -71.41 -40.1 70.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.607 0.763 . . . . 0.0 112.421 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.335 0 C-N-CA 125.794 1.664 . . . . 0.0 114.097 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.7 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -169.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -53.03 -38.64 62.82 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.84 -32.96 77.19 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.878 3.052 . . . . 0.0 113.757 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.28 -43.89 20.53 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.853 0.752 . . . . 0.0 111.119 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -59.28 -39.97 84.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.465 0.706 . . . . 0.0 111.817 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -71.42 -23.85 61.93 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.36 -43.23 19.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.44 1.096 . . . . 0.0 112.778 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 pt -64.9 -32.88 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 120.513 -1.367 . . . . 0.0 110.128 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -19.87 67.56 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.819 1.2 . . . . 0.0 113.369 169.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -51.55 31.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.527 1.663 . . . . 0.0 109.071 170.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -57.69 -41.7 82.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.764 0.826 . . . . 0.0 110.939 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.454 HD12 ' CZ ' ' B' ' 70' ' ' PHE . 5.2 mm -75.75 -37.19 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 118.797 0.726 . . . . 0.0 111.92 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.15 -26.85 73.36 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.199 0.904 . . . . 0.0 112.63 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 38.3 mt -74.74 -56.61 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.499 1.12 . . . . 0.0 110.785 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -63.08 -53.79 48.08 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.538 0.735 . . . . 0.0 112.349 -170.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.97 -25.12 61.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.79 -48.88 79.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.865 0.866 . . . . 0.0 111.076 169.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.21 -27.9 64.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -67.63 -46.5 72.31 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.373 0.988 . . . . 0.0 110.87 169.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.28 -18.44 75.05 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.256 1.408 . . . . 0.0 114.101 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.15 -34.19 77.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.597 1.159 . . . . 0.0 111.71 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -87.24 -33.1 19.41 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.423 1.089 . . . . 0.0 111.708 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 10.21 64.05 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.172 1.368 . . . . 0.0 114.467 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -91.06 -149.11 0.22 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.434 1.494 . . . . 0.0 111.241 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.0 176.22 4.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.987 1.315 . . . . 0.0 112.21 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -72.49 59.91 0.45 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.161 2.184 . . . . 0.0 113.217 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.4 p -133.45 167.15 20.96 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.868 2.067 . . . . 0.0 110.94 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.69 141.34 34.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.475 1.51 . . . . 0.0 111.174 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.2 p -82.82 160.38 22.24 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -59.71 -33.46 71.64 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.406 -1.434 . . . . 0.0 113.297 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -69.34 -34.61 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.13 -39.24 75.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.518 1.053 . . . . 0.0 111.357 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.472 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -60.34 -41.79 94.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.809 1.243 . . . . 0.0 110.87 169.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -61.78 -37.74 85.47 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.238 -1.538 . . . . 0.0 112.37 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.08 -44.46 88.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.23 0.612 . . . . 0.0 111.858 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.29 -49.01 67.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.725 1.21 . . . . 0.0 110.595 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.3 mt -60.72 -47.12 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.088 0.955 . . . . 0.0 111.749 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.92 -20.12 64.22 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.303 1.41 . . . . 0.0 113.197 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -60.32 2.4 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.595 1.158 . . . . 0.0 111.424 169.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -89.82 -17.3 28.4 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -135.7 37.95 2.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.688 2.395 . . . . 0.0 109.626 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.476 0.86 0 C-N-CA 127.701 2.4 . . . . 0.0 113.005 -170.782 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -53.15 -37.41 61.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.716 1.606 . . . . 0.0 112.728 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -27.87 69.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.97 1.308 . . . . 0.0 113.666 173.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.35 -37.5 25.57 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.822 0.849 . . . . 0.0 111.082 170.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.1 mm -62.96 -41.52 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.051 0.94 . . . . 0.0 111.728 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.11 -29.77 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.266 0.939 . . . . 0.0 112.303 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -78.16 -32.84 50.4 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.352 1.433 . . . . 0.0 111.519 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -65.38 -28.46 69.29 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.373 0.988 . . . . 0.0 112.513 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -78.14 -31.56 49.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.954 1.301 . . . . 0.0 112.642 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.58 -33.16 72.33 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.96 1.304 . . . . 0.0 111.941 171.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.28 -51.57 65.57 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.88 1.272 . . . . 0.0 109.689 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.69 -22.89 66.07 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 -59.9 -15.06 18.56 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -70.8 -26.75 63.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.194 0.906 . . . . 0.0 113.202 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -132.98 -150.02 0.4 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.706 2.002 . . . . 0.0 111.745 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.21 -28.28 8.71 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -171.43 -27.63 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.602 1.561 . . . . 0.0 112.927 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.01 141.43 52.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.516 1.127 . . . . 0.0 111.311 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.87 135.75 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.227 1.411 . . . . 0.0 108.801 169.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.16 179.48 5.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.93 0.872 . . . . 0.0 110.645 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.454 ' CZ ' HD12 ' B' ' 13' ' ' ILE . 30.0 t80 -56.29 -40.88 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -40.78 79.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.792 0.724 . . . . 0.0 111.26 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.31 -37.32 86.81 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.964 0.905 . . . . 0.0 112.084 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.08 -44.77 94.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.109 0.413 . . . . 0.0 111.665 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 27.0 mm -71.65 -41.01 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.516 -0.74 . . . . 0.0 110.875 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -61.52 -45.21 95.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.022 1.329 . . . . 0.0 111.312 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -68.82 -37.74 79.4 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.211 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.7 -31.01 72.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.97 1.259 . . . . 0.0 111.899 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.94 71.68 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.198 0.904 . . . . 0.0 113.459 170.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.25 -48.59 12.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.299 1.05 . . . . 0.0 111.344 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 23.7 tp -52.63 -46.29 67.01 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.709 1.204 . . . . 0.0 111.379 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.73 66.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.718 1.207 . . . . 0.0 113.708 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.2 tpt -78.64 -35.82 44.87 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.366 1.066 . . . . 0.0 112.166 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.54 -34.59 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.679 0.672 . . . . 0.0 109.852 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . 0.423 ' HA ' ' CZ ' ' C' ' 200' ' ' TYR . 3.6 m-30 -70.7 40.99 0.06 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 126.654 1.981 . . . . 0.0 113.45 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.55 -25.62 27.1 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 128.089 2.555 . . . . 0.0 116.596 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -66.02 -24.76 66.82 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.674 1.124 . . . . 0.0 112.455 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.08 79.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.912 -1.118 . . . . 0.0 111.637 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.09 -23.81 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.283 1.033 . . . . 0.0 111.994 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 41.7 mttp . . . . . 0 CA--C 1.55 0.945 0 CA-C-N 119.804 1.183 . . . . 0.0 113.903 173.062 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.197 0 N-CA-C 113.967 0.347 . . . . 0.0 113.967 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.72 -32.82 31.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.57 1.948 . . . . 0.0 114.094 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 76.6 mtm -49.97 -32.68 15.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.39 1.476 . . . . 0.0 112.515 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -63.86 -22.81 67.09 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.49 -41.86 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.44 1.896 . . . . 0.0 109.336 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.57 -41.46 97.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.424 1.489 . . . . 0.0 111.408 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.41 -32.72 73.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.587 0.755 . . . . 0.0 112.803 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -66.96 -28.33 68.19 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.192 -0.942 . . . . 0.0 112.544 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 81.7 mt -89.34 -44.09 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.148 1.779 . . . . 0.0 110.278 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' B' ' 84' ' ' TYR . 4.0 t80 -46.24 -48.37 17.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.783 1.633 . . . . 0.0 113.32 170.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.81 -4.56 24.72 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -109.59 10.04 25.08 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.485 1.914 . . . . 0.0 112.853 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.45 -179.72 44.9 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 126.173 1.844 . . . . 0.0 115.687 -173.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.06 153.3 24.97 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.269 1.428 . . . . 0.0 114.546 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.93 -17.22 53.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.594 1.558 . . . . 0.0 114.65 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.39 -13.1 61.71 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.6 ttm -49.67 -65.3 0.59 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 0.0 111.18 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -58.94 -32.87 69.98 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.442 -0.787 . . . . 0.0 112.811 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.76 -43.34 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.076 0.95 . . . . 0.0 111.704 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 23.0 m -78.86 -37.29 40.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.9 1.28 . . . . 0.0 111.211 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 16.8 mm -55.48 -50.04 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.583 0.753 . . . . 0.0 111.145 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.52 -50.49 72.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.426 0.691 . . . . 0.0 111.317 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -57.54 -52.71 64.31 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.086 -1.009 . . . . 0.0 112.549 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.3 67.59 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 . . . . . 0 CA--C 1.54 0.567 0 C-N-CA 123.636 0.775 . . . . 0.0 111.884 171.502 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.147 0 CA-C-O 119.208 -0.773 . . . . 0.0 114.804 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.47 -32.53 62.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 113.943 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.8 ptp -53.1 -28.36 24.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.894 1.278 . . . . 0.0 113.698 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.47 -20.52 65.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.282 1.033 . . . . 0.0 113.775 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.17 -42.71 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.375 1.47 . . . . 0.0 108.738 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -65.97 -33.06 74.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.147 1.379 . . . . 0.0 112.034 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.54 -32.65 67.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.977 0.911 . . . . 0.0 112.676 171.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -68.09 -16.4 64.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.279 -0.888 . . . . 0.0 113.218 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 37.4 mm -92.96 -45.14 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.077 1.351 . . . . 0.0 110.51 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -51.0 -41.63 59.87 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.906 1.282 . . . . 0.0 113.501 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.72 -3.51 15.69 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.59 -30.01 36.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.997 0.919 . . . . 0.0 112.648 170.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.86 170.85 26.75 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.965 1.745 . . . . 0.0 114.74 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -160.37 146.37 15.27 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.424 1.49 . . . . 0.0 111.753 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . 0.527 ' HA ' ' HE3' ' D' ' 208' ' ' LYS . 32.5 t70 -95.76 -23.7 16.84 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -91.94 -24.04 19.39 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -61.14 2.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.923 1.289 . . . . 0.0 110.722 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . 0.527 ' HE3' ' HA ' ' D' ' 205' ' ' ASP . 19.0 pttp -67.04 -24.84 66.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.456 1.502 . . . . 0.0 113.967 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -68.51 -35.23 77.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.881 0.764 . . . . 0.0 111.793 173.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.5 m -67.04 -48.06 69.47 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.238 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.1 mm -52.54 -42.35 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.31 0.644 . . . . 0.0 111.567 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -62.1 -66.03 0.6 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.117 0.567 . . . . 0.0 111.502 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -60.85 -33.5 73.15 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.55 -1.344 . . . . 0.0 113.663 -172.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.35 62.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.2 t90 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 123.935 0.894 . . . . 0.0 112.328 171.765 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -53.32 -29.73 4.88 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -62.13 -38.31 57.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.396 2.064 . . . . 0.0 113.007 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -80.25 -38.93 29.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.717 0.69 . . . . 0.0 111.428 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -61.94 -36.13 80.49 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.591 0.632 . . . . 0.0 112.429 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -76.59 -17.0 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.0 -52.1 7.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.753 1.16 . . . . 0.0 112.509 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.9 pt -64.09 -32.7 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 120.892 -1.13 . . . . 0.0 111.338 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.89 -22.58 73.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.612 1.101 . . . . 0.0 113.671 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -48.01 66.9 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.94 1.37 . . . . 0.0 109.549 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.84 -41.77 92.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.2 1.0 . . . . 0.0 110.897 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.98 -51.05 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.778 0.717 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.72 -29.02 72.71 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 124.368 0.985 . . . . 0.0 113.037 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.6 mt -68.39 -58.67 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 169.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 29' ' ' LEU . 68.3 t80 -59.78 -49.6 77.1 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.991 1.316 . . . . 0.0 113.815 -170.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -69.71 -20.33 63.54 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.48 -36.28 83.42 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.771 -1.206 . . . . 0.0 111.585 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 97.6 m-85 -81.18 -26.65 35.83 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.444 1.097 . . . . 0.0 113.298 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -56.34 -30.26 62.4 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.51 11.53 54.08 Favored Glycine 0 N--CA 1.471 1.013 0 C-N-CA 125.168 1.366 . . . . 0.0 114.966 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 119.403 1.602 . . . . 0.0 111.355 -176.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.7 mttp . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 121.415 0.626 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -74.15 60.92 0.82 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 125.488 1.515 . . . . 0.0 113.536 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -160.55 148.88 16.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.347 2.259 . . . . 0.0 110.258 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 16' ' ' PHE . 9.2 mp -118.29 149.05 41.8 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.802 1.241 . . . . 0.0 110.732 -175.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -77.57 169.83 17.62 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.009 -1.057 . . . . 0.0 111.324 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -53.69 -53.44 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.701 -1.249 . . . . 0.0 112.011 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.95 -41.31 97.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.404 1.082 . . . . 0.0 112.111 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.38 -35.13 78.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.386 1.074 . . . . 0.0 111.947 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.75 -43.09 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.606 1.162 . . . . 0.0 111.077 169.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -56.53 -38.4 71.8 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.923 -1.111 . . . . 0.0 110.811 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -66.38 -43.07 86.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.331 1.053 . . . . 0.0 112.077 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 7.4 tt -52.29 -47.93 65.61 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.516 1.053 . . . . 0.0 110.384 169.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.94 -47.31 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.206 0.912 . . . . 0.0 111.292 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -64.93 -39.66 93.86 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.988 0.813 . . . . 0.0 113.018 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -87.01 -35.75 18.61 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -87.31 -49.02 7.53 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.281 0.946 . . . . 0.0 112.786 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.9 mt -87.94 77.47 8.47 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.513 1.149 . . . . 0.0 108.834 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p . . . . . 0 N--CA 1.479 0.99 0 C-N-CA 128.015 2.526 . . . . 0.0 113.798 -174.14 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -52.15 -42.62 63.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.633 1.56 . . . . 0.0 113.668 -172.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.48 69.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.445 1.098 . . . . 0.0 112.936 175.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -81.19 -33.4 33.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.901 1.28 . . . . 0.0 111.305 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.8 mm -63.91 -45.13 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.053 -1.029 . . . . 0.0 111.524 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.25 -22.24 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.846 0.748 . . . . 0.0 112.537 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -79.05 -38.85 35.41 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 112.194 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.15 -37.44 87.46 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.53 1.132 . . . . 0.0 111.679 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.0 ttp -57.49 -41.16 80.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.913 1.285 . . . . 0.0 111.815 169.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.35 -36.76 68.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.76 0.824 . . . . 0.0 112.863 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -64.66 -31.6 72.89 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.17 0.896 . . . . 0.0 112.544 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.43 -44.6 71.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -69.18 -20.54 64.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.93 1.292 . . . . 0.0 114.392 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -48.04 -32.4 6.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.159 1.384 . . . . 0.0 112.965 171.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -78.59 -4.48 49.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.39 1.476 . . . . 0.0 113.728 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -149.51 -130.35 0.05 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.012 1.325 . . . . 0.0 111.585 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.95 -53.39 0.09 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.06 . . . . 0.0 113.625 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -105.32 -42.92 5.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.291 1.036 . . . . 0.0 111.915 -176.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.34 157.94 44.25 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.212 1.805 . . . . 0.0 112.016 -169.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.22 102.43 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.036 2.135 . . . . 0.0 108.812 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.11 155.41 27.52 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.87 1.268 . . . . 0.0 112.452 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -51.34 -39.13 56.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.805 1.642 . . . . 0.0 114.602 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.61 -47.39 85.66 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.081 0.552 . . . . 0.0 110.866 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.06 -35.46 66.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.154 0.582 . . . . 0.0 111.161 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.44 -48.64 76.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.889 1.275 . . . . 0.0 111.815 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -74.06 -37.37 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.367 0.985 . . . . 0.0 112.075 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.8 m -54.22 -44.77 71.98 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.233 1.013 . . . . 0.0 111.041 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -70.94 -40.19 72.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.655 1.182 . . . . 0.0 113.115 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.22 -19.26 61.44 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.854 0.752 . . . . 0.0 112.581 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.17 -38.38 95.86 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.688 1.131 . . . . 0.0 112.5 169.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.53 65.3 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.135 0.967 . . . . 0.0 111.967 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.5 -18.73 64.45 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.57 -46.73 15.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 168.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.0 ttp -65.72 -26.93 67.97 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 tp -58.02 -31.41 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.721 0.808 . . . . 0.0 113.016 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -74.13 48.35 0.31 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.654 1.581 . . . . 0.0 112.332 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -50.33 -19.77 0.91 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.06 2.944 . . . . 0.0 116.735 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.65 -41.24 85.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.648 1.567 . . . . 0.0 111.568 170.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 -16.02 63.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.53 1.132 . . . . 0.0 113.428 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.93 7.81 45.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.502 1.921 . . . . 0.0 111.481 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -121.55 -45.0 2.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.395 1.478 . . . . 0.0 111.984 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.675 -1.625 . . . . 0.0 113.233 176.706 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mmm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.78 68.03 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -63.02 -39.64 54.3 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -173.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -57.88 -39.21 88.6 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.622 2.881 . . . . 0.0 114.141 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.42 -43.25 50.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.402 1.001 . . . . 0.0 111.252 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.25 -38.4 79.97 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.775 1.23 . . . . 0.0 112.817 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.94 -27.26 60.93 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.79 -48.39 25.68 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.764 1.165 . . . . 0.0 112.059 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.1 pt -64.03 -29.54 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.053 -1.029 . . . . 0.0 111.696 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.43 -27.17 73.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.309 0.956 . . . . 0.0 113.481 172.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -48.43 73.0 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.851 1.326 . . . . 0.0 110.153 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.55 -40.57 87.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.027 0.931 . . . . 0.0 111.796 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -64.4 -45.48 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.063 0.847 . . . . 0.0 110.808 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -30.84 74.54 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.358 0.98 . . . . 0.0 113.318 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -76.45 -44.04 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.159 0.984 . . . . 0.0 112.206 171.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -73.76 -54.08 8.86 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.764 0.826 . . . . 0.0 112.838 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -73.17 -21.01 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -66.21 -29.21 69.43 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.14 -0.975 . . . . 0.0 112.772 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -81.15 -30.5 34.43 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 169.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.7 m -64.47 -49.65 70.59 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.701 -1.25 . . . . 0.0 111.595 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.89 -15.59 69.39 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.032 1.301 . . . . 0.0 114.423 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -64.17 -33.32 75.53 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.296 1.048 . . . . 0.0 111.601 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -100.46 -21.5 15.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.461 1.504 . . . . 0.0 113.044 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.55 18.9 31.38 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.581 1.563 . . . . 0.0 114.021 -176.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -74.69 144.54 43.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.336 1.054 . . . . 0.0 112.885 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -77.52 -48.11 17.87 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -149.15 24.95 0.91 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.773 1.229 . . . . 0.0 113.889 -171.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -147.1 161.03 41.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.888 0.875 . . . . 0.0 113.028 -169.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt -131.47 148.61 52.66 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.91 2.084 . . . . 0.0 109.539 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.3 p -78.99 161.2 26.8 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.678 -0.639 . . . . 0.0 109.455 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -56.27 -30.28 62.24 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.861 -1.15 . . . . 0.0 113.202 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.32 -39.42 32.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 112.779 173.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.54 -36.21 82.13 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.473 1.033 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.1 tm? -60.14 -46.17 90.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.367 1.067 . . . . 0.0 109.999 169.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -58.81 -39.88 82.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.285 -0.885 . . . . 0.0 111.968 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -66.18 -41.23 90.54 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.104 0.865 . . . . 0.0 112.464 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tt -54.29 -51.9 63.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.151 0.98 . . . . 0.0 110.594 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.14 -42.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.879 -0.581 . . . . 0.0 111.757 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.32 -32.0 72.7 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.194 0.907 . . . . 0.0 113.005 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -49.99 7.51 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.573 1.079 . . . . 0.0 113.035 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -85.34 -33.0 22.15 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.986 0.914 . . . . 0.0 113.103 -169.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.8 49.94 0.95 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.92 1.688 . . . . 0.0 108.636 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 123.635 0.774 . . . . 0.0 111.29 -177.019 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 119.296 -0.383 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.12 -53.59 7.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.583 1.953 . . . . 0.0 114.355 -168.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.91 66.52 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.812 0.845 . . . . 0.0 113.088 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.09 -43.26 19.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.525 0.73 . . . . 0.0 110.808 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.63 -36.48 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.83 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.7 m -66.72 -29.67 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.197 1.362 . . . . 0.0 113.038 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -81.06 -34.18 32.92 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.265 0.939 . . . . 0.0 112.891 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.29 -41.8 89.27 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.593 -1.317 . . . . 0.0 112.351 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -27.99 66.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.209 0.913 . . . . 0.0 111.855 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.91 -26.07 63.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.069 1.347 . . . . 0.0 112.895 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.67 -27.36 37.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.437 1.095 . . . . 0.0 113.386 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.38 -42.3 36.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.771 1.228 . . . . 0.0 111.693 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.91 -31.82 66.76 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.227 1.411 . . . . 0.0 114.238 -176.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -63.92 -9.49 15.72 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -68.9 -22.2 64.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.896 0.879 . . . . 0.0 112.338 169.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -136.32 -129.4 0.14 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.637 2.375 . . . . 0.0 109.528 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -150.4 6.8 0.57 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -170.66 -32.93 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.372 1.469 . . . . 0.0 112.667 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -134.29 164.28 27.74 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.177 1.391 . . . . 0.0 111.665 -171.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.72 123.97 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.448 1.499 . . . . 0.0 109.797 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -81.96 164.24 21.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.183 0.993 . . . . 0.0 111.808 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -60.79 -43.14 98.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -172.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.8 -33.66 75.24 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.206 -0.934 . . . . 0.0 111.799 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.3 -39.27 82.09 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.194 0.907 . . . . 0.0 111.399 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -61.65 -43.91 97.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.917 1.287 . . . . 0.0 111.609 172.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.08 -35.44 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.001 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 92.1 m -59.23 -43.58 92.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.387 1.075 . . . . 0.0 110.789 172.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.18 -42.74 99.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.275 172.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.86 -28.75 70.06 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.836 1.198 . . . . 0.0 112.319 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.74 95.23 Favored Glycine 0 N--CA 1.468 0.826 0 C-N-CA 124.544 1.069 . . . . 0.0 112.141 169.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.66 85.18 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 117.976 0.888 . . . . 0.0 112.819 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.47 -47.7 81.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.598 1.159 . . . . 0.0 110.801 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -31.37 72.08 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.784 1.234 . . . . 0.0 113.145 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 53.6 tpp -68.51 -40.97 80.63 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.143 0.977 . . . . 0.0 112.072 173.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.01 -34.02 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.716 0.807 . . . . 0.0 110.967 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -72.54 47.59 0.17 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.938 1.351 . . . . 0.0 112.005 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.02 -25.21 63.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.087 2.155 . . . . 0.0 115.363 -169.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.12 -42.98 79.4 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.31 0.959 . . . . 0.0 111.115 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.0 86.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.034 -1.041 . . . . 0.0 111.118 173.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.03 -2.19 17.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.96 1.704 . . . . 0.0 114.0 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 N--CA 1.477 0.9 0 C-N-CA 125.025 1.33 . . . . 0.0 113.761 174.705 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 CA-C-O 120.803 0.113 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.26 -47.6 85.29 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.275 0.63 . . . . 0.0 112.213 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -58.97 -17.59 26.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.356 1.462 . . . . 0.0 114.326 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -86.53 -16.04 38.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 79.8 t -95.33 -40.57 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.425 1.49 . . . . 0.0 108.373 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.19 -30.98 62.48 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.713 1.605 . . . . 0.0 112.008 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -61.54 -26.71 68.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.79 1.177 . . . . 0.0 113.467 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -65.53 -25.94 67.67 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.302 -0.874 . . . . 0.0 111.954 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 28.3 mt -92.12 -36.11 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.488 1.515 . . . . 0.0 110.411 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -54.98 -41.83 71.68 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.043 -1.036 . . . . 0.0 112.766 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -70.69 -9.67 57.66 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -111.21 13.85 21.76 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.548 2.339 . . . . 0.0 112.528 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.81 147.06 37.67 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.73 1.633 . . . . 0.0 115.718 -169.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -78.18 143.02 37.56 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.293 1.437 . . . . 0.0 114.326 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.74 -29.34 51.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.741 1.216 . . . . 0.0 114.084 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -73.21 -19.4 61.1 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.014 0.825 . . . . 0.0 112.95 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.3 -38.52 87.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.846 0.748 . . . . 0.0 111.436 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.72 -30.05 71.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.847 0.859 . . . . 0.0 113.025 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -77.97 -35.43 50.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.328 0.651 . . . . 0.0 112.517 170.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 86.6 m -61.81 -53.91 49.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.827 1.651 . . . . 0.0 111.638 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.05 -29.15 42.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -75.65 -54.96 6.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.192 0.997 . . . . 0.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.31 -41.25 96.67 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.634 -1.291 . . . . 0.0 112.066 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.15 68.35 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 . . . . . 0 CA--C 1.541 0.597 0 CA-C-N 118.735 0.698 . . . . 0.0 110.997 170.249 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.988 0 N-CA-C 112.649 -0.18 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.29 -32.95 73.75 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.394 1.078 . . . . 0.0 113.657 -174.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -54.09 -29.76 45.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.702 1.201 . . . . 0.0 113.824 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -67.51 -17.18 64.57 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.17 -35.69 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.437 1.495 . . . . 0.0 109.794 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.25 -31.9 73.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.44 1.096 . . . . 0.0 111.238 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -52.35 -32.95 40.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.973 1.309 . . . . 0.0 112.607 170.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -71.18 -15.15 62.46 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.894 -1.129 . . . . 0.0 113.146 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.82 -43.5 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.495 1.518 . . . . 0.0 110.789 170.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.36 -43.83 68.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.702 0.801 . . . . 0.0 113.005 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.24 -0.64 15.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.637 1.575 . . . . 0.0 113.844 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.57 -23.36 53.53 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.981 0.912 . . . . 0.0 112.051 169.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.25 15.85 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.494 1.997 . . . . 0.0 113.432 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.49 159.21 21.81 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.336 1.854 . . . . 0.0 110.725 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -155.79 -50.41 0.08 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.34 -28.64 63.18 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.887 0.767 . . . . 0.0 112.64 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 17.7 mmt -48.56 -50.07 33.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.707 1.203 . . . . 0.0 111.054 169.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.53 -20.4 66.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.252 1.021 . . . . 0.0 112.934 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -88.25 -42.15 12.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.713 0.805 . . . . 0.0 111.919 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.1 m -70.5 -48.27 56.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 111.879 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.63 -44.32 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.864 0.466 . . . . 0.0 110.236 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -55.07 -60.83 2.84 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.863 0.465 . . . . 0.0 111.546 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -61.37 -37.13 82.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.995 -1.066 . . . . 0.0 113.017 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.45 84.1 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.9 m95 . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 123.066 0.546 . . . . 0.0 111.729 175.723 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -40.86 -49.88 7.54 Favored Pre-proline 0 N--CA 1.478 0.972 0 N-CA-C 117.352 2.352 . . . . 0.0 117.352 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.22 -28.87 33.4 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.116 1.877 . . . . 0.0 113.527 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -82.21 -39.47 23.07 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.168 0.894 . . . . 0.0 112.096 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.68 -36.57 79.07 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.827 1.651 . . . . 0.0 112.555 -176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -67.21 -30.8 70.83 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 170.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.98 -47.15 14.03 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.455 1.025 . . . . 0.0 112.262 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -62.84 -29.12 46.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.763 0.711 . . . . 0.0 111.343 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -25.47 73.88 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-O 118.283 -1.287 . . . . 0.0 114.146 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -49.25 55.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.704 1.752 . . . . 0.0 109.802 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.54 HD23 HD11 ' B' ' 5' ' ' LEU . 11.8 mt -57.68 -41.97 82.66 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.656 1.182 . . . . 0.0 111.998 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.89 -38.67 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.761 0.71 . . . . 0.0 111.15 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.31 -47.95 88.07 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.434 1.016 . . . . 0.0 112.102 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.93 -36.73 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.376 1.088 . . . . 0.0 111.717 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.31 -59.8 3.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.949 0.9 . . . . 0.0 111.788 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -23.44 61.6 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -170.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -53.62 -42.86 68.19 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.025 1.33 . . . . 0.0 111.047 169.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.5 -38.79 25.74 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 117.791 -1.1 . . . . 0.0 113.716 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.3 m -58.82 -29.33 66.82 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.662 1.573 . . . . 0.0 113.769 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.82 60.6 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.848 -0.973 . . . . 0.0 114.89 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.469 0.52 0 CA-C-N 119.358 1.579 . . . . 0.0 111.863 171.097 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 20.04 0.06 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -141.47 143.25 33.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.039 1.735 . . . . 0.0 111.55 -172.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 mt -104.75 137.72 42.13 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 0.0 109.465 169.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.2 m -78.48 157.82 28.8 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.21 -0.931 . . . . 0.0 111.045 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -58.24 -36.17 72.8 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.049 -1.657 . . . . 0.0 114.863 -169.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -78.3 -30.75 48.55 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -67.01 -41.95 85.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.094 1.758 . . . . 0.0 109.989 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.67 -45.77 88.66 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.729 2.012 . . . . 0.0 110.104 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.13 -43.11 99.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.774 -1.203 . . . . 0.0 111.781 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -62.12 -36.5 81.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.418 0.687 . . . . 0.0 112.327 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.57 -50.46 73.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.686 0.794 . . . . 0.0 110.111 169.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.33 -41.26 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 118.02 -0.991 . . . . 0.0 111.631 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -59.51 -32.54 70.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.293 1.406 . . . . 0.0 112.958 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -84.76 -39.18 18.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.621 0.768 . . . . 0.0 112.585 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.38 -67.14 0.46 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.924 0.89 . . . . 0.0 110.341 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -94.54 76.43 3.81 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.865 1.266 . . . . 0.0 110.146 -171.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 169.274 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -56.28 -42.91 78.27 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.168 1.349 . . . . 0.0 113.559 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.17 68.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 113.429 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -81.02 -38.7 27.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.403 0.681 . . . . 0.0 111.118 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -67.21 -37.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.226 0.921 . . . . 0.0 112.103 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.81 -29.44 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.639 1.109 . . . . 0.0 112.024 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.46 -33.08 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 170.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -46.85 88.28 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.788 -1.195 . . . . 0.0 111.341 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -64.95 -28.87 69.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.5 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.87 -31.1 70.68 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.504 1.047 . . . . 0.0 112.64 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.19 -19.4 47.14 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 170.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.34 -40.82 25.93 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.379 1.071 . . . . 0.0 110.778 169.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.68 -6.69 33.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.115 2.166 . . . . 0.0 112.919 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -58.74 -22.17 57.05 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.815 1.246 . . . . 0.0 112.554 172.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -81.88 -30.61 31.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.59 1.556 . . . . 0.0 113.129 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -171.35 129.67 0.71 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.269 2.628 . . . . 0.0 110.334 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.42 -17.48 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 -168.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -108.16 -22.61 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -161.23 160.21 29.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.291 1.037 . . . . 0.0 112.28 -169.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.9 114.65 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.398 1.479 . . . . 0.0 109.656 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -77.83 149.61 34.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -53.05 -40.42 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -175.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -61.82 -40.73 96.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.257 -0.902 . . . . 0.0 111.323 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -74.35 -31.98 62.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.509 1.124 . . . . 0.0 111.854 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.58 -45.12 94.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.795 1.238 . . . . 0.0 111.163 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mm -64.71 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.35 -0.844 . . . . 0.0 110.95 173.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -59.5 -44.47 93.09 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.399 1.08 . . . . 0.0 110.971 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -62.97 -40.63 98.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.601 0.76 . . . . 0.0 112.202 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.88 -27.62 68.35 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.423 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.39 93.25 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.005 0.812 . . . . 0.0 112.57 170.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.51 -45.23 76.41 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 117.821 0.81 . . . . 0.0 111.517 170.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.44 -44.31 80.33 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.757 1.223 . . . . 0.0 111.601 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.87 78.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.137 1.375 . . . . 0.0 113.093 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.46 -33.38 58.73 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.522 0.729 . . . . 0.0 112.619 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -35.88 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.493 -0.755 . . . . 0.0 110.564 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -72.26 52.63 0.27 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.819 1.248 . . . . 0.0 111.339 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -52.44 -28.0 18.3 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.86 -35.8 58.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.946 1.248 . . . . 0.0 112.694 170.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -22.17 66.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.796 1.238 . . . . 0.0 113.107 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -100.71 12.47 37.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.286 1.834 . . . . 0.0 112.062 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -127.21 -42.87 1.67 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.113 1.365 . . . . 0.0 112.924 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 C-N-CA 126.695 2.093 . . . . 0.0 112.074 177.327 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 110.804 -0.073 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.58 -26.54 55.17 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -169.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -48.49 -40.9 42.96 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -169.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.14 -42.58 34.87 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.492 2.128 . . . . 0.0 113.184 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.54 HD11 HD23 ' A' ' 12' ' ' LEU . 11.4 tp -80.25 -39.2 29.42 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.348 0.522 . . . . 0.0 111.658 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -33.99 77.29 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.553 1.141 . . . . 0.0 112.23 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.99 -24.95 58.5 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.774 0.716 . . . . 0.0 112.419 171.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.86 30.68 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.902 1.228 . . . . 0.0 111.93 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.5 pt -64.89 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.418 1.008 . . . . 0.0 110.064 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -22.77 66.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.49 1.519 . . . . 0.0 114.004 170.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -51.19 18.63 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.155 1.477 . . . . 0.0 109.647 172.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.34 -43.91 83.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.954 0.901 . . . . 0.0 111.01 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.41 -42.57 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 118.249 0.477 . . . . 0.0 111.097 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -38.35 94.2 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.005 0.821 . . . . 0.0 112.834 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 33.0 mt -67.0 -36.04 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.241 1.017 . . . . 0.0 111.744 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.97 -51.66 13.1 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.955 0.902 . . . . 0.0 112.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -25.38 60.76 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -169.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -64.57 -33.15 75.24 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.862 -0.524 . . . . 0.0 112.276 171.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -82.52 -41.99 18.97 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.7 p -66.49 -11.48 52.54 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 -3.26 78.86 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.301 0.953 . . . . 0.0 114.972 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -74.75 -52.52 11.31 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.222 1.511 . . . . 0.0 112.691 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -124.78 -40.57 2.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.215 1.406 . . . . 0.0 111.7 -169.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -153.2 26.33 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.504 1.526 . . . . 0.0 113.564 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -165.24 164.52 20.02 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.38 1.872 . . . . 0.0 111.832 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 83.3 tttt 57.92 -101.64 0.13 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.803 1.641 . . . . 0.0 112.528 175.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.436 ' CD2' HD21 ' B' ' 69' ' ' ASN . 0.3 OUTLIER -133.1 25.47 4.23 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.793 1.637 . . . . 0.0 114.441 -169.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.4 p -127.89 151.53 48.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.609 1.164 . . . . 0.0 112.402 176.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.49 137.59 49.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.339 1.856 . . . . 0.0 109.87 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -78.41 166.13 22.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.349 -0.844 . . . . 0.0 111.058 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.93 -51.65 68.77 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.048 -1.658 . . . . 0.0 113.682 -170.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -72.77 -30.11 63.85 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.575 -0.703 . . . . 0.0 112.155 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.28 -42.41 93.2 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.289 1.436 . . . . 0.0 110.909 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.02 -46.15 85.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.39 1.076 . . . . 0.0 111.175 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.39 -37.8 76.03 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.28 -0.888 . . . . 0.0 111.797 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -66.47 -41.6 88.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.239 1.016 . . . . 0.0 111.696 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -55.57 -55.81 27.66 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.292 1.037 . . . . 0.0 110.109 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.06 -40.45 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.808 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -76.01 -12.68 60.18 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.817 1.644 . . . . 0.0 114.047 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.12 -41.55 15.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.607 1.094 . . . . 0.0 112.216 169.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.36 -56.15 4.54 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.139 0.427 . . . . 0.0 111.219 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.83 74.41 5.71 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.364 1.466 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.472 0.642 0 C-N-CA 126.179 1.791 . . . . 0.0 110.329 174.504 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -54.82 -39.42 68.5 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.672 1.124 . . . . 0.0 112.658 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.08 69.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.626 1.17 . . . . 0.0 112.877 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.31 -37.43 28.39 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.742 1.217 . . . . 0.0 111.078 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.81 -43.94 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.877 0.871 . . . . 0.0 111.731 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.83 -27.29 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.664 1.12 . . . . 0.0 112.435 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -72.1 -40.23 68.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.079 0.854 . . . . 0.0 111.951 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.65 -39.73 94.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.279 0.632 . . . . 0.0 111.435 174.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.54 -41.47 80.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.852 0.861 . . . . 0.0 110.583 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 -28.56 69.98 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -77.4 -25.84 51.18 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.624 1.102 . . . . 0.0 112.92 173.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -80.59 -39.87 26.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.868 1.667 . . . . 0.0 111.69 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.36 -7.26 29.69 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.257 2.223 . . . . 0.0 113.336 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -53.83 -21.94 8.61 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 169.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -61.81 -43.99 97.74 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -166.36 149.33 7.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.857 1.663 . . . . 0.0 111.561 -171.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -55.02 -24.97 27.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.9 2.08 . . . . 0.0 116.112 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -120.36 -19.53 7.58 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -170.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -160.74 155.86 24.45 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.434 1.015 . . . . 0.0 113.119 -169.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 65.1 t -99.75 119.8 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.701 2.0 . . . . 0.0 109.022 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.436 HD21 ' CD2' ' B' ' 27' ' ' HIS . 28.0 t-20 -81.26 149.21 29.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -49.34 -44.89 44.89 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.986 1.714 . . . . 0.0 114.378 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.83 -35.29 78.34 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.41 -38.31 77.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.941 0.496 . . . . 0.0 111.455 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.16 -43.69 95.58 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.306 -0.871 . . . . 0.0 111.894 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.47 -47.79 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.225 -0.922 . . . . 0.0 111.03 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -59.69 -44.16 93.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.438 1.095 . . . . 0.0 111.551 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -65.93 -40.22 91.2 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.836 1.255 . . . . 0.0 111.746 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.14 -26.54 68.58 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 112.178 171.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.56 94.57 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-N 118.939 0.79 . . . . 0.0 112.092 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.36 87.45 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.051 0.925 . . . . 0.0 111.815 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -57.19 -46.97 82.37 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.602 1.161 . . . . 0.0 110.712 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.95 89.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.555 1.542 . . . . 0.0 111.874 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -69.48 -29.66 67.36 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.34 -0.85 . . . . 0.0 113.175 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.31 -25.74 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.883 1.273 . . . . 0.0 113.729 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -56.24 -38.64 71.36 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.301 0.955 . . . . 0.0 110.677 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.05 -46.43 0.28 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.849 3.259 . . . . 0.0 116.272 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -58.71 -37.7 76.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.933 1.293 . . . . 0.0 111.047 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.55 -19.18 64.58 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.03 6.71 41.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.304 1.842 . . . . 0.0 112.539 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt . . . . . 0 N--CA 1.477 0.875 0 C-N-CA 125.208 1.403 . . . . 0.0 113.201 176.413 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.185 0 N-CA-C 115.599 1.0 . . . . 0.0 115.599 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.23 -65.75 0.51 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.389 1.875 . . . . 0.0 111.453 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -28.53 13.49 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.242 1.817 . . . . 0.0 114.106 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -74.64 -14.43 60.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.61 -35.92 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.85 1.26 . . . . 0.0 109.328 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.37 -36.43 79.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.775 2.03 . . . . 0.0 111.624 172.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -52.22 -39.42 60.2 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.375 1.07 . . . . 0.0 111.771 173.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -58.02 -24.99 60.53 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -84.3 -36.62 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.998 1.319 . . . . 0.0 111.753 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -67.35 -35.95 80.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.103 -0.998 . . . . 0.0 111.232 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.0 -1.15 11.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 113.998 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -106.6 -32.3 8.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.719 1.208 . . . . 0.0 113.732 173.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -157.89 149.24 19.58 Favored Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.908 1.123 . . . . 0.0 115.908 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.99 103.81 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 129.067 2.947 . . . . 0.0 108.179 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -149.32 -47.13 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -89.17 -32.78 17.3 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.421 1.01 . . . . 0.0 112.887 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.5 ttm -51.1 -54.82 21.49 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.152 0.581 . . . . 0.0 110.79 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -58.94 -27.24 65.13 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.65 -42.3 51.74 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.101 0.864 . . . . 0.0 111.283 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 17.9 m -65.35 -38.1 89.07 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.198 0.999 . . . . 0.0 112.568 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 18.1 mm -59.27 -45.76 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.331 0.968 . . . . 0.0 110.947 173.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -61.89 -45.87 91.84 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.073 -0.392 . . . . 0.0 111.709 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.44 -44.39 89.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.096 0.862 . . . . 0.0 112.83 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.72 -34.41 78.26 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 . . . . . 0 CA--C 1.54 0.577 0 CA-C-N 118.164 0.438 . . . . 0.0 112.079 178.092 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 N-CA-C 115.447 0.939 . . . . 0.0 115.447 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -67.24 0.46 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.144 1.472 . . . . 0.0 111.246 -173.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -25.64 20.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.681 1.193 . . . . 0.0 113.57 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -65.72 -19.38 65.88 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 90.9 t -99.26 -36.86 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.043 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.43 -31.32 57.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.887 1.675 . . . . 0.0 111.87 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -63.49 -26.03 68.53 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.686 -1.259 . . . . 0.0 113.036 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -56.75 -30.87 64.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.576 1.151 . . . . 0.0 111.953 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 54.1 mt -87.11 -42.66 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.082 1.753 . . . . 0.0 110.161 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.89 -38.23 72.51 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.31 -0.869 . . . . 0.0 112.907 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -73.7 -3.11 26.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.151 1.38 . . . . 0.0 114.053 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -104.94 -42.58 5.3 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.609 1.564 . . . . 0.0 110.822 169.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.82 -166.27 54.84 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.761 1.648 . . . . 0.0 115.718 169.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.23 147.46 20.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.896 1.678 . . . . 0.0 111.577 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.59 -33.32 25.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.79 -21.38 20.71 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 49.2 tpp -45.53 -60.86 1.95 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.56 1.544 . . . . 0.0 110.824 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -60.79 -34.41 74.46 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.783 1.233 . . . . 0.0 112.823 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -74.06 -45.29 50.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.51 0.724 . . . . 0.0 111.737 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.6 m -72.38 -35.26 68.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.73 0.812 . . . . 0.0 112.581 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.5 mt -58.13 -44.27 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.439 0.696 . . . . 0.0 110.531 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.49 -47.64 72.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.452 0.701 . . . . 0.0 112.138 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.761 -1.212 . . . . 0.0 112.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.63 -31.35 71.44 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.5 t90 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 123.955 0.902 . . . . 0.0 110.983 172.683 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -55.65 -36.87 50.67 Favored Pre-proline 0 CA--C 1.552 1.03 0 O-C-N 119.868 -1.77 . . . . 0.0 114.42 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -70.38 -32.41 16.04 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.246 2.63 . . . . 0.0 113.204 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.2 -42.81 59.21 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -54.22 -43.64 70.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.396 1.479 . . . . 0.0 112.067 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.88 -16.57 60.03 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -50.41 9.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.558 1.072 . . . . 0.0 112.546 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 pt -61.85 -32.86 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.371 0.987 . . . . 0.0 111.083 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.53 76.21 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.861 1.22 . . . . 0.0 114.078 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -48.76 51.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.158 1.479 . . . . 0.0 110.045 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.36 -40.63 91.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.533 0.733 . . . . 0.0 111.241 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -68.04 -43.49 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.178 0.899 . . . . 0.0 110.907 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.42 -35.04 91.46 Favored Glycine 0 N--CA 1.468 0.776 0 C-N-CA 124.392 0.996 . . . . 0.0 113.15 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.13 -52.07 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.462 1.105 . . . . 0.0 110.835 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.58 -45.27 87.71 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -69.42 -22.96 63.64 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -53.95 -45.94 71.45 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.168 -0.958 . . . . 0.0 110.967 169.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.7 -31.76 28.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.734 1.613 . . . . 0.0 114.112 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -79.35 -42.4 25.71 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.98 -1.075 . . . . 0.0 111.92 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.78 -14.46 58.3 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.92 1.248 . . . . 0.0 114.14 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 124.923 1.289 . . . . 0.0 111.495 169.632 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CE1' HD21 ' A' ' 69' ' ' ASN . 3.0 p-80 -76.05 55.66 0.94 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.066 1.747 . . . . 0.0 113.526 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 t -146.52 154.44 41.55 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.4 1.48 . . . . 0.0 111.983 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.2 mt -123.18 147.91 46.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.27 1.828 . . . . 0.0 110.205 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 p -79.35 165.38 23.19 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 109.187 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -56.26 -41.57 76.03 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.38 -1.45 . . . . 0.0 112.617 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.74 -36.69 73.28 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.137 -0.977 . . . . 0.0 112.467 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.83 -35.17 76.65 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.876 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.37 -44.78 96.58 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.63 0.772 . . . . 0.0 110.485 169.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.04 -37.98 81.4 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.008 -1.058 . . . . 0.0 111.86 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.52 -42.95 99.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.941 0.896 . . . . 0.0 112.099 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.69 -55.03 40.14 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.126 0.97 . . . . 0.0 111.082 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.31 -43.92 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.031 0.832 . . . . 0.0 111.934 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -67.26 -26.57 66.63 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.79 -55.78 3.56 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.84 -15.1 35.35 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.094 1.758 . . . . 0.0 115.0 -168.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.91 46.98 2.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.063 1.345 . . . . 0.0 110.075 -175.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 125.813 1.645 . . . . 0.0 111.693 -177.229 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 119.168 -0.444 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.19 -41.26 60.11 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.955 1.252 . . . . 0.0 114.178 -169.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.87 69.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.949 0.899 . . . . 0.0 113.39 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -81.54 -33.83 31.5 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.434 1.094 . . . . 0.0 111.671 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.39 -41.74 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.306 -0.871 . . . . 0.0 111.034 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.71 -25.05 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.074 1.307 . . . . 0.0 112.896 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -76.87 -36.53 56.7 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.105 -0.997 . . . . 0.0 112.52 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.05 -41.27 95.33 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.548 1.139 . . . . 0.0 111.441 170.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 ttp -58.6 -43.59 89.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.651 1.181 . . . . 0.0 110.933 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.56 -35.07 79.8 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.081 0.952 . . . . 0.0 113.02 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.81 -24.07 60.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.52 -46.92 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.334 1.454 . . . . 0.0 110.572 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.01 -17.32 63.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.021 2.128 . . . . 0.0 114.301 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.33 -14.73 3.12 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.395 1.078 . . . . 0.0 113.572 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.91 -35.37 45.25 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.697 1.599 . . . . 0.0 113.59 169.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -147.44 -22.74 0.38 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 79.37 18.68 0.77 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.859 2.463 . . . . 0.0 111.794 -170.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -158.1 -33.44 0.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.301 1.841 . . . . 0.0 112.522 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -142.29 155.1 45.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.005 1.322 . . . . 0.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -120.06 121.39 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.31 1.844 . . . . 0.0 110.453 170.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.512 HD21 ' CE1' ' A' ' 27' ' ' HIS . 26.9 t-20 -79.78 154.69 28.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.375 1.07 . . . . 0.0 112.175 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -47.52 -41.92 22.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.065 1.346 . . . . 0.0 114.606 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -59.61 -45.68 91.19 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.47 -0.769 . . . . 0.0 111.539 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -73.65 -29.73 62.51 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.283 0.633 . . . . 0.0 112.211 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -62.35 -46.5 88.41 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.283 -0.886 . . . . 0.0 111.95 171.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.64 -43.17 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.016 0.825 . . . . 0.0 110.826 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.0 m -60.12 -44.81 94.62 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.442 1.097 . . . . 0.0 111.188 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -62.83 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.089 0.956 . . . . 0.0 112.326 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.29 -25.64 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.021 0.828 . . . . 0.0 111.969 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.18 -42.3 84.13 Favored Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.05 0.833 . . . . 0.0 112.496 169.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.16 -33.55 75.66 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.315 0.646 . . . . 0.0 112.538 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -69.98 -40.53 75.31 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.121 0.968 . . . . 0.0 111.213 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.5 81.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.673 -0.642 . . . . 0.0 111.255 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.7 ttt -69.56 -37.07 76.86 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.974 0.91 . . . . 0.0 113.161 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -63.64 -30.68 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.05 1.295 . . . . 0.0 112.148 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -74.4 50.39 0.41 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.613 1.165 . . . . 0.0 111.51 169.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -49.42 -29.4 6.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.461 2.305 . . . . 0.0 115.282 -171.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -53.28 -36.92 61.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 113.011 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.64 -20.76 64.48 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.485 1.114 . . . . 0.0 113.546 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.11 1.95 50.6 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.677 1.991 . . . . 0.0 111.613 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -115.5 -47.5 2.82 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.72 1.608 . . . . 0.0 112.138 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.789 2.138 . . . . 0.0 111.683 178.892 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 119.159 -0.448 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.31 40.04 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 p -57.17 -32.72 14.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.79 -36.99 81.66 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.806 2.337 . . . . 0.0 113.389 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 30.4 tp -79.67 -39.5 31.22 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.405 0.548 . . . . 0.0 111.438 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.66 -43.91 76.74 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.238 1.015 . . . . 0.0 112.211 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -70.31 -22.68 62.8 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -47.46 13.99 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.431 1.014 . . . . 0.0 112.195 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -63.76 -32.97 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.391 0.996 . . . . 0.0 110.928 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.07 72.31 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 125.075 1.321 . . . . 0.0 113.705 170.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -52.98 48.05 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.908 1.354 . . . . 0.0 111.071 170.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.46 -39.58 84.12 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.447 0.699 . . . . 0.0 111.596 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.85 -48.9 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.729 0.695 . . . . 0.0 111.099 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.55 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.383 0.992 . . . . 0.0 113.434 -174.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.6 mt -72.14 -54.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 169.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.85 -43.13 99.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.824 0.738 . . . . 0.0 112.71 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.1 -18.0 60.86 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -59.92 -44.13 94.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.703 0.801 . . . . 0.0 110.877 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -80.6 -30.88 36.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.516 1.126 . . . . 0.0 113.155 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -70.73 -41.16 72.23 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.19 0.904 . . . . 0.0 112.774 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.11 -14.73 61.89 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 124.7 1.143 . . . . 0.0 113.977 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.89 -31.93 73.29 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.853 1.261 . . . . 0.0 112.008 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -93.67 -45.8 7.54 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.684 1.194 . . . . 0.0 110.627 170.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.08 -8.95 56.26 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.499 1.524 . . . . 0.0 116.181 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.62 -30.16 62.8 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.697 1.199 . . . . 0.0 113.613 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -171.79 169.89 5.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.838 2.055 . . . . 0.0 112.188 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 53.55 0.61 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.505 1.922 . . . . 0.0 113.314 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.16 148.54 52.48 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.43 1.492 . . . . 0.0 110.151 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.9 mt -112.67 145.15 40.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.634 1.573 . . . . 0.0 108.706 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -79.14 168.88 18.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.137 -0.977 . . . . 0.0 109.205 169.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -57.21 -38.39 73.65 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.403 -1.435 . . . . 0.0 111.809 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -75.29 -34.52 61.31 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -72.62 -33.54 66.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.86 1.209 . . . . 0.0 111.646 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.81 -48.07 82.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.508 0.723 . . . . 0.0 109.97 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' B' ' 38' ' ' ILE . 43.5 mtpt -56.9 -26.74 59.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 117.808 -1.091 . . . . 0.0 113.45 171.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.62 -47.38 69.78 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.995 1.725 . . . . 0.0 110.595 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.76 -58.34 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.258 1.023 . . . . 0.0 111.461 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.437 HG12 ' HA ' ' B' ' 35' ' ' LYS . 39.2 pt -72.73 -19.77 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -171.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -79.84 -29.48 40.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 120.852 1.66 . . . . 0.0 112.258 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -86.06 -47.24 9.73 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.598 1.09 . . . . 0.0 113.671 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -55.92 4.05 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.376 0.671 . . . . 0.0 110.529 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 72.7 mt -89.85 39.39 0.96 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.296 0.953 . . . . 0.0 111.051 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 126.131 1.773 . . . . 0.0 112.985 -169.701 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.38 -31.57 63.96 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.126 1.37 . . . . 0.0 113.205 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.89 69.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.941 0.896 . . . . 0.0 113.092 174.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -81.67 -38.68 25.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.116 0.966 . . . . 0.0 111.064 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mm -60.72 -43.93 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.961 0.904 . . . . 0.0 111.56 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.68 -29.86 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.96 -37.06 55.97 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.279 -0.888 . . . . 0.0 111.95 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.4 HD22 HD12 ' B' ' 38' ' ' ILE . 8.7 tt -62.17 -43.74 98.16 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.204 0.911 . . . . 0.0 111.895 170.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 33.5 ttp -56.67 -44.9 81.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.02 1.328 . . . . 0.0 111.975 172.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.54 -37.02 73.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.744 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -65.96 -32.0 73.23 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.966 1.307 . . . . 0.0 112.358 173.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -67.58 -48.24 67.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.552 1.541 . . . . 0.0 110.804 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.2 -25.37 67.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 114.141 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -54.22 -27.61 35.6 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.961 1.255 . . . . 0.0 113.627 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -80.6 -14.53 58.12 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.864 0.866 . . . . 0.0 113.288 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -132.05 -142.98 0.22 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.488 2.315 . . . . 0.0 109.147 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.83 101.93 1.65 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.229 1.411 . . . . 0.0 111.172 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 75.38 12.04 3.29 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.965 2.506 . . . . 0.0 112.611 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.59 157.84 30.55 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.401 1.88 . . . . 0.0 109.903 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.0 t -119.76 102.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.2 1.8 . . . . 0.0 107.734 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -85.3 156.49 20.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.789 0.836 . . . . 0.0 112.177 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -55.19 -41.91 72.56 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -169.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.06 -44.74 96.03 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.78 -0.575 . . . . 0.0 110.584 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -73.76 -30.88 63.04 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.076 0.951 . . . . 0.0 112.235 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.65 -47.41 84.53 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.556 0.742 . . . . 0.0 111.394 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 mt -72.16 -34.54 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 O-C-N 121.172 -0.955 . . . . 0.0 112.125 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 63.5 m -55.46 -44.93 76.89 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.994 0.816 . . . . 0.0 110.873 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.32 -36.46 79.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.895 0.878 . . . . 0.0 113.072 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.17 -19.82 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.328 0.967 . . . . 0.0 112.479 171.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.72 86.42 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 119.494 1.043 . . . . 0.0 111.731 169.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.63 75.56 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.356 1.078 . . . . 0.0 112.531 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.01 -43.63 87.12 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.619 0.768 . . . . 0.0 110.761 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -34.42 75.61 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.624 1.17 . . . . 0.0 112.428 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.5 mtp -68.35 -19.11 64.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -70.81 -28.97 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.856 1.207 . . . . 0.0 111.843 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -78.33 46.03 0.6 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.066 1.346 . . . . 0.0 109.636 168.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.24 -28.4 27.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -168.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -58.97 -34.34 71.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.154 -0.966 . . . . 0.0 112.512 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.25 -15.16 62.88 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.984 1.314 . . . . 0.0 113.624 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.4 mt -102.95 -17.16 15.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.391 1.476 . . . . 0.0 112.929 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 124.816 1.247 . . . . 0.0 112.198 173.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.143 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.1 -43.57 66.94 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.713 1.605 . . . . 0.0 113.492 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -54.55 -29.09 49.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.171 1.388 . . . . 0.0 113.749 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -68.54 -22.28 64.51 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.3 t -95.85 -40.43 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.581 1.552 . . . . 0.0 108.742 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -57.88 -45.35 86.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.833 1.253 . . . . 0.0 110.28 169.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.89 -38.42 82.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.357 0.663 . . . . 0.0 112.371 174.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -66.54 -12.66 58.74 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 36.1 mm -96.22 -47.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.249 0.931 . . . . 0.0 110.085 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.24 -46.8 35.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.162 1.385 . . . . 0.0 113.842 174.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.66 -1.72 17.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -172.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.95 -20.99 60.19 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.067 0.947 . . . . 0.0 112.911 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 155.23 15.43 0.05 OUTLIER Glycine 0 CA--C 1.535 1.331 0 N-CA-C 118.124 2.01 . . . . 0.0 118.124 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -74.6 130.4 39.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.632 2.216 . . . . 0.0 111.557 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -167.53 -26.01 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.069 1.347 . . . . 0.0 113.916 -169.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.87 -18.24 21.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.805 1.642 . . . . 0.0 114.946 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 58.9 tpp -42.83 -42.86 3.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.302 2.241 . . . . 0.0 113.143 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -50.02 -36.36 28.4 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.578 1.551 . . . . 0.0 113.87 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.95 -41.84 58.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.011 0.924 . . . . 0.0 112.029 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 88.7 m -66.75 -44.5 81.33 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.045 0.938 . . . . 0.0 110.735 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.69 -50.18 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.836 0.855 . . . . 0.0 111.056 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -53.05 -43.44 66.66 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.719 0.69 . . . . 0.0 112.3 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -25.61 68.39 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -89.12 -34.33 16.76 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.486 -0.759 . . . . 0.0 112.49 170.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 42.3 m0 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -170.353 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.188 0 N-CA-C 116.357 1.303 . . . . 0.0 116.357 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.57 -40.61 83.61 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.332 1.566 . . . . 0.0 113.134 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.59 -23.98 44.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.353 1.461 . . . . 0.0 113.429 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -74.23 -17.56 60.87 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 119.632 1.106 . . . . 0.0 113.941 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.07 -39.37 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.229 1.412 . . . . 0.0 109.637 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.65 -34.23 77.8 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.048 1.339 . . . . 0.0 111.477 170.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.17 -29.64 63.83 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.501 1.12 . . . . 0.0 112.508 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -63.83 -24.25 67.68 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.732 -1.23 . . . . 0.0 113.121 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 40.1 mm -86.22 -37.61 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.901 1.28 . . . . 0.0 111.247 174.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.35 -44.42 88.78 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.151 -0.968 . . . . 0.0 112.076 169.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -78.74 -1.08 32.88 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.807 1.643 . . . . 0.0 113.787 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.93 -18.76 53.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.939 0.896 . . . . 0.0 112.323 171.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.23 144.43 7.1 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.263 1.411 . . . . 0.0 113.628 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -159.48 154.14 24.38 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.655 1.582 . . . . 0.0 112.527 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.55 -7.3 3.26 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.739 1.616 . . . . 0.0 113.298 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -71.14 -38.39 72.24 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.662 1.119 . . . . 0.0 113.217 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.0 mmt -55.01 -47.08 75.17 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.222 0.919 . . . . 0.0 111.073 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -58.36 -22.99 55.56 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.983 -1.073 . . . . 0.0 113.529 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -99.62 -27.74 13.53 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.044 1.338 . . . . 0.0 113.335 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 35.5 p -87.9 -40.72 13.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.143 1.338 . . . . 0.0 112.733 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 26.5 mm -57.99 -40.91 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.552 1.141 . . . . 0.0 111.819 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -57.57 -50.75 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.383 0.673 . . . . 0.0 111.811 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.64 -49.47 66.1 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.197 0.599 . . . . 0.0 111.762 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -52.65 -42.18 64.46 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.395 1.078 . . . . 0.0 112.505 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 91.0 t90 . . . . . 0 CA--C 1.537 0.449 0 CA-C-N 118.163 0.438 . . . . 0.0 111.724 179.797 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -55.78 -41.2 89.67 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.54 -35.85 88.45 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.324 2.683 . . . . 0.0 113.817 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.5 tp -75.84 -40.74 54.2 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.841 0.746 . . . . 0.0 110.67 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -57.08 -41.48 78.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.541 1.137 . . . . 0.0 111.925 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -72.04 -20.81 61.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -46.47 14.21 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.192 1.36 . . . . 0.0 112.632 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 pt -66.63 -31.29 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.09 -1.006 . . . . 0.0 111.293 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -27.84 73.04 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.196 0.903 . . . . 0.0 112.663 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -68.17 -52.55 33.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.916 1.286 . . . . 0.0 110.122 174.241 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.61 -38.93 75.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.593 1.957 . . . . 0.0 112.042 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.43 -51.49 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 118.862 0.755 . . . . 0.0 110.787 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -31.92 77.25 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.993 0.806 . . . . 0.0 113.886 -173.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 11' ' ' LEU . 1.3 mp -69.42 -38.66 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 118.022 -0.989 . . . . 0.0 111.492 173.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -79.97 -52.52 7.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.023 1.283 . . . . 0.0 112.36 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -69.41 -23.19 63.68 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -58.33 -44.48 88.68 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.299 -0.876 . . . . 0.0 112.039 170.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -81.96 -26.98 33.5 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -67.87 -41.5 82.72 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.612 -1.305 . . . . 0.0 110.802 170.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.49 -26.79 71.99 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.997 0.808 . . . . 0.0 113.323 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt . . . . . 0 CA--C 1.545 0.786 0 CA-C-N 118.591 1.196 . . . . 0.0 112.691 172.001 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -113.0 20.28 16.5 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.157 1.383 . . . . 0.0 114.136 -169.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -130.24 151.36 50.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.551 1.941 . . . . 0.0 110.593 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -112.35 148.2 34.76 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.395 1.878 . . . . 0.0 108.997 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -78.33 153.59 31.58 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.049 -1.032 . . . . 0.0 108.726 168.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -53.92 -37.06 63.41 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.324 -1.485 . . . . 0.0 113.227 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -31.62 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.222 -0.924 . . . . 0.0 113.352 173.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -76.44 -30.46 57.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.594 0.758 . . . . 0.0 111.898 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.37 -44.71 96.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -60.75 -39.93 90.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.906 -1.121 . . . . 0.0 112.37 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.54 -47.8 84.13 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.526 -0.75 . . . . 0.0 111.546 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.12 -47.41 71.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.527 1.058 . . . . 0.0 111.198 174.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.98 -52.97 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.02 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.62 -23.98 58.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.099 1.318 . . . . 0.0 113.234 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.5 -41.13 15.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.575 1.08 . . . . 0.0 112.961 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.83 -52.72 5.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.129 0.877 . . . . 0.0 111.707 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.34 -48.69 8.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.246 0.618 . . . . 0.0 110.366 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 127.844 2.458 . . . . 0.0 111.857 169.533 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.06 -29.77 67.56 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.965 1.711 . . . . 0.0 112.243 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.6 -25.85 66.81 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.499 1.12 . . . . 0.0 113.219 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -81.65 -35.97 29.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 110.396 171.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.8 mm -62.14 -41.95 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.062 -0.971 . . . . 0.0 111.797 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.62 -26.42 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.382 1.446 . . . . 0.0 112.848 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -75.82 -37.49 59.04 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.514 1.052 . . . . 0.0 112.125 170.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.33 -38.01 89.47 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.217 -0.927 . . . . 0.0 111.732 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttp -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.602 1.161 . . . . 0.0 110.713 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.16 -39.61 93.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.778 0.831 . . . . 0.0 112.767 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -69.2 -23.91 63.97 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.22 -44.66 19.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.246 1.418 . . . . 0.0 111.716 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.25 -35.51 73.85 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.056 1.742 . . . . 0.0 114.084 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -71.77 -6.04 38.56 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -74.21 -15.11 61.01 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.367 1.067 . . . . 0.0 112.937 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -128.09 -95.25 0.42 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.16 1.784 . . . . 0.0 111.368 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -168.86 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.832 1.653 . . . . 0.0 113.178 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.6 16.54 1.13 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.896 1.278 . . . . 0.0 111.83 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -143.59 159.0 43.24 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.185 1.794 . . . . 0.0 111.193 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.11 114.05 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 108.737 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -83.76 151.03 25.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.82 1.248 . . . . 0.0 112.31 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.98 -45.13 79.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -73.12 -34.89 66.4 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.289 -0.882 . . . . 0.0 111.286 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.24 -37.83 78.17 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.826 0.85 . . . . 0.0 111.413 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.21 -47.92 83.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.531 1.532 . . . . 0.0 111.169 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.2 mt -67.98 -37.37 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.181 -0.949 . . . . 0.0 112.141 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 m -59.05 -44.26 91.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.177 0.899 . . . . 0.0 111.084 172.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.68 -37.8 87.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.821 0.848 . . . . 0.0 112.559 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.06 -29.72 70.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.819 1.19 . . . . 0.0 111.949 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.68 93.91 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.148 0.88 . . . . 0.0 112.384 169.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.41 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.071 0.935 . . . . 0.0 111.86 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 tp -51.78 -46.96 64.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.969 1.707 . . . . 0.0 110.608 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.96 79.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.05 1.34 . . . . 0.0 112.797 177.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -73.99 -23.06 59.4 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.298 1.408 . . . . 0.0 114.622 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.25 -30.57 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.516 0.726 . . . . 0.0 110.508 170.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -75.88 46.09 0.37 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 111.131 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.82 -29.17 4.29 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 118.42 2.748 . . . . 0.0 118.42 -168.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.15 -35.02 72.77 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.621 1.1 . . . . 0.0 112.082 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.89 89.01 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.207 1.403 . . . . 0.0 112.682 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.65 -41.93 52.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.974 1.31 . . . . 0.0 110.91 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.49 -37.0 86.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.523 1.129 . . . . 0.0 112.927 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 C-N-CA 125.942 1.734 . . . . 0.0 113.149 176.422 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.59 57.25 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -49.3 -32.53 4.8 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -172.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -69.26 -38.46 8.85 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.05 2.5 . . . . 0.0 113.943 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 tp -81.48 -37.07 28.53 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.736 1.153 . . . . 0.0 111.56 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.85 -40.79 76.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.972 1.709 . . . . 0.0 112.29 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.04 -35.87 81.7 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 172.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.48 64.31 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.633 1.106 . . . . 0.0 112.853 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 pt -68.35 -24.17 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.975 -0.453 . . . . 0.0 111.589 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.46 -39.22 61.6 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.596 1.094 . . . . 0.0 113.177 170.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -51.84 65.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.05 1.34 . . . . 0.0 111.187 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 mt -53.31 -43.79 67.85 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.021 1.728 . . . . 0.0 112.761 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.82 -45.28 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.954 0.901 . . . . 0.0 111.019 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.54 -27.78 73.06 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 124.85 1.214 . . . . 0.0 113.847 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.2 mt -75.3 -49.49 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 118.597 1.199 . . . . 0.0 111.23 170.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -64.59 -52.61 56.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.304 0.957 . . . . 0.0 112.204 -174.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -75.27 -11.98 60.18 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -172.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.61 -42.51 88.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.575 0.75 . . . . 0.0 111.019 169.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -81.53 -28.8 33.79 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.766 1.227 . . . . 0.0 113.26 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -66.48 -44.75 81.8 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.977 -1.077 . . . . 0.0 111.237 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 -3.93 38.16 Favored Glycine 0 N--CA 1.473 1.146 0 C-N-CA 125.46 1.505 . . . . 0.0 114.852 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.19 -30.55 70.48 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.442 1.097 . . . . 0.0 111.787 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.09 -4.08 3.94 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.7 23.56 27.97 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.76 1.172 . . . . 0.0 113.717 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -69.76 168.46 14.98 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.21 1.404 . . . . 0.0 111.987 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -101.69 -141.16 0.35 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.431 1.092 . . . . 0.0 112.727 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -78.43 14.48 1.23 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.892 1.677 . . . . 0.0 115.135 -170.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -128.22 149.76 50.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.08 2.152 . . . . 0.0 110.948 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -120.43 137.53 54.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.822 1.249 . . . . 0.0 110.266 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.2 p -78.09 155.33 30.62 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.513 -0.742 . . . . 0.0 110.172 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -57.59 -33.81 68.58 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.635 -1.29 . . . . 0.0 114.185 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.93 -28.66 39.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.9 -37.21 70.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 110.667 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.74 -43.83 98.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.656 1.182 . . . . 0.0 109.684 169.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -57.77 -44.73 86.39 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.811 -1.181 . . . . 0.0 111.807 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.13 -46.96 87.0 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.834 -1.079 . . . . 0.0 111.398 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.34 -49.12 73.04 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.872 1.214 . . . . 0.0 111.247 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -66.77 -44.09 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 119.035 0.834 . . . . 0.0 111.443 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -68.03 -37.82 81.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.873 1.215 . . . . 0.0 113.061 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -86.06 -41.28 14.93 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -87.24 -50.63 6.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.265 0.939 . . . . 0.0 111.571 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 mt -95.94 66.96 2.65 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.993 0.901 . . . . 0.0 108.799 -172.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.48 1.049 0 C-N-CA 129.745 3.218 . . . . 0.0 115.784 -169.582 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.01 -30.1 71.2 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.639 -1.288 . . . . 0.0 113.134 -170.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.2 -32.14 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.473 1.109 . . . . 0.0 112.739 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -81.03 -31.81 34.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.3 0.64 . . . . 0.0 111.124 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.7 mm -65.08 -42.37 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.911 1.232 . . . . 0.0 111.224 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.23 -22.34 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.25 1.386 . . . . 0.0 112.911 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -77.16 -37.57 53.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.102 0.865 . . . . 0.0 111.377 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.68 -33.47 75.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.724 0.81 . . . . 0.0 111.371 172.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 65.6 mtp -60.14 -40.29 89.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.931 0.787 . . . . 0.0 111.381 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.67 -30.6 71.32 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.209 1.004 . . . . 0.0 112.62 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -77.3 -23.79 51.03 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.34 -41.88 23.96 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.155 1.382 . . . . 0.0 111.707 170.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.91 -13.39 56.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.691 1.996 . . . . 0.0 112.942 173.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -53.54 -31.72 47.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.563 1.945 . . . . 0.0 112.809 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -79.64 -56.63 4.16 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.445 1.098 . . . . 0.0 111.905 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -143.31 124.9 14.87 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.907 1.683 . . . . 0.0 110.656 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -81.3 -37.68 28.0 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -169.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.47 -38.68 62.86 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.132 0.573 . . . . 0.0 111.947 -174.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.08 139.36 13.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.097 1.359 . . . . 0.0 110.165 172.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.6 t -93.85 121.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.871 1.269 . . . . 0.0 108.224 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -80.53 148.01 30.58 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.567 0.747 . . . . 0.0 112.033 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.43 -40.6 62.38 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -172.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.67 -46.56 89.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.518 0.599 . . . . 0.0 110.689 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -29.52 62.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.66 0.784 . . . . 0.0 111.926 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.35 -38.33 86.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.95 0.9 . . . . 0.0 109.797 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 51.5 mt -72.57 -35.23 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 118.033 -0.984 . . . . 0.0 112.491 172.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -56.87 -43.75 81.54 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.782 1.628 . . . . 0.0 111.156 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -64.6 -39.45 93.74 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 112.245 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.84 -24.11 66.82 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.039 -1.038 . . . . 0.0 112.405 172.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.25 -39.26 82.32 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.667 1.127 . . . . 0.0 112.091 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.088 0.944 . . . . 0.0 111.919 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.53 -43.01 93.59 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.013 0.925 . . . . 0.0 110.695 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.21 77.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.46 1.104 . . . . 0.0 113.358 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 99.0 mtp -68.18 -32.59 72.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.356 0.98 . . . . 0.0 112.896 170.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.34 -33.04 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.775 0.716 . . . . 0.0 111.296 170.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -71.73 43.21 0.09 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.535 1.534 . . . . 0.0 112.891 169.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -52.32 -27.53 15.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.446 3.099 . . . . 0.0 116.309 -170.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -62.82 -36.92 84.77 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.961 1.255 . . . . 0.0 112.244 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.06 -15.32 62.98 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.28 -0.887 . . . . 0.0 113.0 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.09 8.24 38.76 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.954 2.102 . . . . 0.0 111.807 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 92.3 mttt . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.831 1.652 . . . . 0.0 111.136 171.08 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.259 0 N-CA-C 113.974 0.35 . . . . 0.0 113.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 36.1 tp -46.6 -63.75 0.93 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.344 2.257 . . . . 0.0 112.083 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -50.66 -31.75 17.14 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.986 1.714 . . . . 0.0 114.342 -177.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.0 -20.72 62.38 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 -37.63 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.812 1.245 . . . . 0.0 108.558 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.79 -26.94 64.51 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.229 1.811 . . . . 0.0 112.141 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -55.45 -29.15 58.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.436 1.095 . . . . 0.0 112.869 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.52 -17.4 64.65 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.228 -0.92 . . . . 0.0 113.207 176.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 20.8 mt -96.21 -42.55 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.359 1.464 . . . . 0.0 110.85 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -46.18 -45.32 16.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.039 1.336 . . . . 0.0 113.611 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.27 -12.2 54.96 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -111.16 -1.81 16.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.001 2.12 . . . . 0.0 114.337 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.1 134.65 34.26 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.251 0.929 . . . . 0.0 112.636 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.16 152.63 38.44 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.11 -22.65 61.17 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.295 1.838 . . . . 0.0 114.152 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.08 -19.89 55.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.513 1.051 . . . . 0.0 113.429 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 37.1 mtt -55.83 -47.83 76.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.96 1.254 . . . . 0.0 111.733 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -58.81 -38.65 79.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.808 0.843 . . . . 0.0 111.685 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -72.66 -33.93 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.191 0.996 . . . . 0.0 111.55 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 89.9 m -70.17 -48.5 57.01 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.401 1.88 . . . . 0.0 111.203 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.63 -44.99 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.198 0.599 . . . . 0.0 110.453 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.24 -54.42 47.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.183 0.593 . . . . 0.0 112.518 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -68.97 -18.13 64.03 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.43 29.18 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.249 0.932 . . . . 0.0 112.021 169.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 38.5 t90 . . . . . 0 N--CA 1.468 0.425 0 C-N-CA 126.513 1.925 . . . . 0.0 112.701 -177.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.085 0 N-CA-C 113.468 0.147 . . . . 0.0 113.468 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -38.36 67.58 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.019 0.927 . . . . 0.0 113.315 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -56.81 -25.26 55.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.815 1.246 . . . . 0.0 113.802 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -72.38 -18.08 61.77 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 173.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.79 -37.96 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.037 1.335 . . . . 0.0 108.798 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.73 -33.71 76.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.012 1.325 . . . . 0.0 111.202 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -51.99 -36.26 49.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.119 1.367 . . . . 0.0 112.305 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' D' ' 198' ' ' LYS . 11.0 mmpt? -69.0 -12.83 62.04 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.114 -1.616 . . . . 0.0 114.039 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.1 mt -95.29 -35.73 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.183 1.393 . . . . 0.0 110.219 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.47 -40.33 86.59 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.292 1.037 . . . . 0.0 111.265 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -85.08 -0.48 54.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.683 1.593 . . . . 0.0 113.641 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -96.66 -47.23 5.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.506 1.523 . . . . 0.0 108.969 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 76.74 168.28 28.18 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 118.654 2.222 . . . . 0.0 118.654 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -161.8 159.05 26.55 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.604 3.162 . . . . 0.0 108.231 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -112.57 -16.32 12.87 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.087 2.254 . . . . 0.0 117.087 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.77 -32.52 73.17 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.377 1.444 . . . . 0.0 113.162 -177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 11.0 ttm -50.1 -48.72 53.18 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.972 1.309 . . . . 0.0 109.929 168.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -78.77 -26.13 44.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.619 . . . . 0.0 111.417 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -75.12 -32.47 61.38 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.226 0.921 . . . . 0.0 111.592 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 60.4 m -69.86 -49.02 56.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.915 1.286 . . . . 0.0 110.92 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.1 -48.21 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.705 0.802 . . . . 0.0 110.767 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -53.09 -62.24 1.78 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.98 0.912 . . . . 0.0 111.817 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.76 -30.02 71.13 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.65 -1.281 . . . . 0.0 113.619 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.24 -26.94 47.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.8 t90 . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 124.246 1.018 . . . . 0.0 113.142 -178.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.045 0.45 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 p -59.54 -29.5 5.96 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.61 -45.94 15.95 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.56 2.174 . . . . 0.0 113.375 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.87 -38.6 57.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.889 0.768 . . . . 0.0 111.475 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.19 -46.82 82.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.895 1.278 . . . . 0.0 111.936 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -70.39 -20.52 62.93 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.14 -47.78 13.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.359 0.982 . . . . 0.0 112.666 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -62.92 -33.94 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.235 -0.916 . . . . 0.0 110.943 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.58 75.37 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.816 -0.991 . . . . 0.0 113.434 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.82 65.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.995 1.397 . . . . 0.0 110.036 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.22 -37.79 84.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.048 0.939 . . . . 0.0 112.14 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.99 -48.28 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 119.699 1.136 . . . . 0.0 110.823 173.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.34 86.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.87 0.748 . . . . 0.0 112.946 -175.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 mt -64.45 -37.73 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.131 0.965 . . . . 0.0 112.115 171.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -77.99 -59.65 2.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.897 0.771 . . . . 0.0 112.629 -175.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -68.13 -22.5 64.87 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HE3' ' CE2' ' A' ' 19' ' ' TYR . 60.8 pttt -62.37 -30.77 71.42 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.268 -0.895 . . . . 0.0 112.641 173.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CE2' ' HE3' ' A' ' 18' ' ' LYS . 84.7 m-85 -82.01 -40.81 21.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.236 -0.887 . . . . 0.0 112.373 169.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -62.53 -13.31 29.31 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.12 -0.19 61.84 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.434 1.016 . . . . 0.0 114.817 172.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 N--CA 1.472 0.65 0 CA-C-N 118.982 1.391 . . . . 0.0 112.44 -176.369 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.7 mttm . . . . . 0 CA--C 1.55 0.968 0 CA-C-O 121.837 0.827 . . . . 0.0 113.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -75.34 37.47 0.13 Allowed 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 126.567 1.947 . . . . 0.0 114.107 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -141.81 131.26 23.78 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.639 1.975 . . . . 0.0 109.013 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.88 137.4 32.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.164 1.386 . . . . 0.0 111.333 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -78.88 154.42 29.76 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.515 -0.74 . . . . 0.0 109.14 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -56.4 -38.16 71.14 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 119.711 -1.868 . . . . 0.0 114.292 -173.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -68.23 -37.02 80.39 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.652 1.181 . . . . 0.0 112.53 173.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -67.49 -40.34 85.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 110.558 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.0 tm? -63.51 -44.5 94.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.453 1.501 . . . . 0.0 110.717 169.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.0 -39.93 87.47 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.607 -1.308 . . . . 0.0 112.031 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.29 -45.18 94.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.06 172.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -51.49 -53.25 39.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.378 0.99 . . . . 0.0 111.053 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.65 -47.46 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.903 0.774 . . . . 0.0 111.558 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.88 -32.65 74.06 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -83.16 -42.99 16.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -85.99 -43.73 12.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.962 0.801 . . . . 0.0 112.069 -172.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -107.06 63.12 0.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.104 1.361 . . . . 0.0 109.099 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 N--CA 1.473 0.704 0 C-N-CA 126.712 2.005 . . . . 0.0 114.045 -169.646 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 CA--C 1.546 0.806 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.86 -25.36 63.23 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.015 -1.678 . . . . 0.0 113.366 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.84 71.1 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 113.188 169.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.59 -33.5 31.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.834 0.854 . . . . 0.0 110.681 170.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.03 -39.33 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.023 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.05 -26.11 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-N 120.395 1.452 . . . . 0.0 112.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.16 -35.8 61.57 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.241 0.928 . . . . 0.0 112.554 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -68.02 -36.04 79.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.433 -0.792 . . . . 0.0 112.155 170.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.4 ttp -60.91 -43.27 98.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.617 1.167 . . . . 0.0 111.596 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.01 -43.79 86.89 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.208 1.003 . . . . 0.0 112.262 169.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -36.4 84.28 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.932 0.787 . . . . 0.0 112.915 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.11 -40.42 74.9 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.073 1.349 . . . . 0.0 111.803 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.65 -19.4 65.19 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.277 1.831 . . . . 0.0 114.319 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -57.33 -18.99 19.69 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -71.21 -17.5 62.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -150.9 -116.79 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.545 1.138 . . . . 0.0 111.722 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -127.41 -47.64 1.44 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.79 1.632 . . . . 0.0 113.212 -169.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -141.27 4.59 1.82 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.269 1.828 . . . . 0.0 112.019 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.97 167.2 25.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.948 1.699 . . . . 0.0 112.815 -169.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 t -133.12 115.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.511 1.924 . . . . 0.0 109.875 -175.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.2 148.6 32.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.69 -0.631 . . . . 0.0 111.781 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -48.19 -50.68 28.26 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -70.92 -27.35 63.71 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.947 -1.096 . . . . 0.0 112.964 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.76 -34.5 58.04 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.602 0.637 . . . . 0.0 111.687 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -60.89 -42.5 98.12 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.343 -0.848 . . . . 0.0 110.535 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -65.64 -37.91 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.369 -0.832 . . . . 0.0 111.847 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -62.1 -37.52 85.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.497 1.044 . . . . 0.0 111.671 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -65.11 -39.75 93.55 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.162 0.892 . . . . 0.0 112.061 171.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.25 -24.52 67.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.325 0.966 . . . . 0.0 112.281 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.34 -38.28 58.57 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.506 1.051 . . . . 0.0 112.929 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.32 81.33 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.047 0.923 . . . . 0.0 112.255 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.0 -42.85 89.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.123 0.969 . . . . 0.0 111.479 172.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.24 67.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.794 0.838 . . . . 0.0 112.629 172.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.66 -31.24 36.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.57 1.148 . . . . 0.0 113.384 172.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -65.16 -32.79 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.719 1.145 . . . . 0.0 111.45 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.63 52.38 0.39 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.14 1.376 . . . . 0.0 110.889 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -55.7 -12.81 1.38 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 117.142 -169.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.88 -26.24 65.91 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.207 -1.558 . . . . 0.0 111.625 169.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.93 69.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.077 1.351 . . . . 0.0 113.371 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.16 -9.22 59.83 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.575 1.55 . . . . 0.0 112.291 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -125.04 10.59 8.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 113.362 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.898 1.713 . . . . 0.0 114.46 -179.804 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.9 mtp . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.73 -67.22 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.783 2.033 . . . . 0.0 114.426 -171.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.8 m -59.11 -46.13 99.37 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-O 117.352 -1.308 . . . . 0.0 114.212 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -53.27 -40.57 77.23 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.849 3.033 . . . . 0.0 114.696 170.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.45 -43.7 55.02 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.457 1.026 . . . . 0.0 111.656 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.04 -38.03 87.19 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.303 1.441 . . . . 0.0 112.03 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -72.39 -28.55 63.07 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.55 -43.99 30.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.728 1.149 . . . . 0.0 112.861 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.9 pt -60.89 -35.12 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.538 1.063 . . . . 0.0 110.129 169.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.4 -17.55 70.64 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.731 1.158 . . . . 0.0 114.214 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -53.47 10.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.087 1.444 . . . . 0.0 109.882 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.69 -42.31 75.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.827 0.851 . . . . 0.0 110.943 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.444 HD12 ' CZ ' ' B' ' 70' ' ' PHE . 5.6 mm -76.05 -35.68 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 118.641 0.655 . . . . 0.0 112.598 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.23 80.25 Favored Glycine 0 N--CA 1.469 0.893 0 C-N-CA 124.442 1.02 . . . . 0.0 112.226 175.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -73.65 -60.76 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.077 0.951 . . . . 0.0 109.248 169.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -53.6 -51.02 64.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.202 0.91 . . . . 0.0 113.14 -172.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -70.91 -19.67 62.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -169.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.21 -45.6 72.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.102 0.961 . . . . 0.0 111.556 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -80.49 -33.24 36.71 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.2 p -71.4 -43.18 67.28 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.419 1.009 . . . . 0.0 111.481 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.69 -20.55 64.11 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.73 1.157 . . . . 0.0 113.889 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.59 -31.61 69.62 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 118.571 1.186 . . . . 0.0 111.993 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -94.64 3.98 54.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 113.16 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.96 16.02 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 125.185 1.374 . . . . 0.0 113.7 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.86 -15.43 60.72 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -170.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -76.18 122.35 24.21 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.425 -0.797 . . . . 0.0 111.476 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -83.12 51.84 2.05 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.582 1.553 . . . . 0.0 113.214 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.3 p -133.86 163.64 29.06 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.946 1.698 . . . . 0.0 111.464 -176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.0 mt -121.07 126.87 50.93 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.128 1.371 . . . . 0.0 109.491 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -78.36 156.85 29.31 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 169.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -60.62 -26.49 67.06 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.767 -1.208 . . . . 0.0 114.174 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -78.52 -35.69 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.949 -1.094 . . . . 0.0 113.588 170.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -67.68 -37.3 82.13 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.703 0.683 . . . . 0.0 111.292 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.06 -43.5 86.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.175 1.39 . . . . 0.0 111.276 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -62.77 -35.69 80.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.692 -1.255 . . . . 0.0 111.803 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -46.37 90.14 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.051 1.34 . . . . 0.0 111.754 172.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -57.6 -53.02 62.95 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.769 1.228 . . . . 0.0 111.581 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.9 mt -61.25 -47.43 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.339 0.972 . . . . 0.0 111.585 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.64 -24.38 67.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.862 1.21 . . . . 0.0 112.995 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -86.56 -56.49 3.4 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -88.28 -15.84 34.71 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -169.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.5 mt -138.36 56.75 1.72 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.429 1.892 . . . . 0.0 109.785 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 122.185 0.993 . . . . 0.0 111.73 -177.541 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.03 -35.53 78.85 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.458 -1.401 . . . . 0.0 111.525 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.72 -28.07 68.38 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.019 1.328 . . . . 0.0 113.013 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.89 -39.18 24.23 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.484 1.114 . . . . 0.0 111.016 171.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.22 -42.32 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.669 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.83 -29.15 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 120.286 1.403 . . . . 0.0 113.034 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -74.3 -35.95 63.72 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.058 0.845 . . . . 0.0 112.64 171.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.12 -37.08 83.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.331 -0.856 . . . . 0.0 111.811 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -60.4 -39.11 86.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.978 1.311 . . . . 0.0 111.467 170.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -65.15 -38.07 89.42 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.066 0.946 . . . . 0.0 113.096 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.19 -20.8 62.23 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.794 1.179 . . . . 0.0 113.811 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.5 -44.3 19.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.46 1.104 . . . . 0.0 110.663 169.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -57.69 -38.91 76.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.525 1.13 . . . . 0.0 112.576 171.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -56.31 -23.2 35.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.158 2.183 . . . . 0.0 113.689 171.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -78.43 -5.1 51.47 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.688 1.195 . . . . 0.0 113.176 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -153.26 -135.35 0.06 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 125.95 1.7 . . . . 0.0 111.189 172.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -118.49 -23.59 7.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.047 1.739 . . . . 0.0 114.71 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -172.12 -32.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.905 1.682 . . . . 0.0 112.207 -173.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -140.39 140.14 35.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.421 1.488 . . . . 0.0 110.745 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.1 m -95.44 134.84 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.25 1.02 . . . . 0.0 110.059 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -80.58 163.83 23.38 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.356 0.598 . . . . 0.0 112.126 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.444 ' CZ ' HD12 ' B' ' 13' ' ' ILE . 23.7 t80 -42.18 -46.8 4.51 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.877 2.071 . . . . 0.0 114.101 172.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.8 -45.33 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.887 0.767 . . . . 0.0 111.374 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.48 -26.94 61.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.577 0.751 . . . . 0.0 112.496 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.58 -42.29 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.816 -0.552 . . . . 0.0 111.273 169.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.29 -42.78 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.737 -0.602 . . . . 0.0 110.666 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.5 m -57.75 -45.48 85.84 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.639 0.776 . . . . 0.0 111.56 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -66.58 -38.41 86.97 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.972 0.805 . . . . 0.0 112.022 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.58 -28.86 68.85 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.917 1.235 . . . . 0.0 112.372 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.18 -40.74 96.98 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.93 0.776 . . . . 0.0 112.092 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.07 84.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.373 0.669 . . . . 0.0 111.957 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.54 -44.74 89.71 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.049 -1.032 . . . . 0.0 111.151 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.889 0.876 . . . . 0.0 112.571 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 46.1 tpp -68.77 -35.83 77.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.146 0.978 . . . . 0.0 111.127 169.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.63 -27.36 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.346 -0.846 . . . . 0.0 111.415 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -74.62 43.75 0.19 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 126.144 1.777 . . . . 0.0 111.33 170.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -56.19 -23.82 37.76 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.27 -35.63 80.9 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.183 1.81 . . . . 0.0 111.789 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.47 -20.2 63.74 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -91.77 11.92 23.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.955 2.102 . . . . 0.0 112.762 170.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt . . . . . 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 111.761 170.12 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.121 0 CA-C-O 119.483 -0.62 . . . . 0.0 114.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.74 -63.33 1.33 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 111.123 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -47.48 -42.38 22.69 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.45 1.5 . . . . 0.0 112.555 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.02 -13.22 45.16 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.28 -29.1 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.984 1.265 . . . . 0.0 109.788 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -80.65 -30.1 36.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.864 2.066 . . . . 0.0 111.488 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -56.36 -32.32 64.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.632 1.173 . . . . 0.0 111.994 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -61.52 -30.27 70.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 13.4 mt -81.24 -40.67 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.025 0.829 . . . . 0.0 111.108 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.3 -40.0 73.63 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.163 0.892 . . . . 0.0 112.739 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.37 -4.24 38.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.661 1.584 . . . . 0.0 114.292 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -109.34 7.18 25.0 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.819 2.048 . . . . 0.0 111.507 170.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.44 169.06 54.78 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.366 1.936 . . . . 0.0 114.085 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.48 158.71 15.33 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.63 -10.37 55.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.162 1.785 . . . . 0.0 113.17 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -62.99 -23.19 67.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.928 1.291 . . . . 0.0 113.814 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 7.8 mmt -53.17 -47.42 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.558 1.072 . . . . 0.0 112.965 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -65.48 -23.38 66.89 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.434 -0.791 . . . . 0.0 113.037 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.97 -51.68 7.82 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.011 1.724 . . . . 0.0 109.562 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 90.4 m -61.7 -51.82 66.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.974 2.11 . . . . 0.0 111.721 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.48 -42.9 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.687 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.96 -54.89 42.08 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.356 0.98 . . . . 0.0 112.104 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.83 -40.76 97.36 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.223 -0.923 . . . . 0.0 112.122 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.61 76.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.931 0.892 . . . . 0.0 113.036 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 N--CA 1.472 0.667 0 CA-C-N 119.151 0.887 . . . . 0.0 112.691 173.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 112.645 -0.182 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -52.21 -44.27 64.68 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.069 1.748 . . . . 0.0 113.769 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -26.84 41.29 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.615 1.166 . . . . 0.0 113.912 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.91 -16.42 58.23 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.307 0.958 . . . . 0.0 113.447 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.87 -38.92 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.28 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.31 -34.02 77.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.506 1.522 . . . . 0.0 112.025 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.76 -29.81 41.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 113.199 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -67.18 -21.49 65.78 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.531 -0.731 . . . . 0.0 112.935 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.3 mt -91.65 -37.5 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.136 1.374 . . . . 0.0 110.537 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.71 -38.61 69.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.747 -1.22 . . . . 0.0 112.985 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -6.72 35.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -101.02 -44.58 5.67 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.425 1.49 . . . . 0.0 109.146 169.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.69 165.37 40.45 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.038 1.78 . . . . 0.0 116.679 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -75.04 169.59 17.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.216 1.806 . . . . 0.0 111.741 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -152.77 -33.38 0.13 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -93.42 -23.62 18.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.175 0.99 . . . . 0.0 112.61 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 19.4 ttt -53.03 -50.24 64.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.394 1.078 . . . . 0.0 111.495 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -61.77 -30.79 71.03 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.399 1.08 . . . . 0.0 113.262 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -70.21 -42.82 71.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.047 0.939 . . . . 0.0 110.378 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 25.6 m -67.38 -45.82 75.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.747 0.819 . . . . 0.0 111.575 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.3 mt -55.85 -46.45 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.37 0.668 . . . . 0.0 111.073 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.41 -59.49 5.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.218 0.607 . . . . 0.0 111.557 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.17 -41.45 98.33 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.744 -1.223 . . . . 0.0 112.555 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.09 71.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 78.3 t90 . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 123.64 0.776 . . . . 0.0 112.851 170.644 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -56.51 -39.01 74.63 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -67.14 -41.83 8.9 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.248 1.965 . . . . 0.0 112.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 tp -74.76 -40.31 61.29 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.798 0.726 . . . . 0.0 111.17 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.06 -35.35 80.45 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.454 1.102 . . . . 0.0 112.664 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -73.63 -23.28 59.86 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -47.55 14.57 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.68 -32.75 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 120.996 -1.065 . . . . 0.0 111.142 170.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.81 70.49 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.155 0.883 . . . . 0.0 113.478 171.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -51.99 44.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.295 1.047 . . . . 0.0 110.046 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -59.51 -38.43 80.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.023 0.929 . . . . 0.0 112.212 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.03 -48.51 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.184 0.902 . . . . 0.0 110.744 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -27.92 73.29 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.424 1.011 . . . . 0.0 113.528 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.96 -51.63 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.492 1.117 . . . . 0.0 111.309 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -70.58 -51.18 30.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.668 1.122 . . . . 0.0 113.081 -173.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -68.66 -22.7 64.37 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -42.53 63.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.721 1.209 . . . . 0.0 112.687 169.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.43 -32.35 26.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 p -72.43 -41.99 65.56 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.318 1.417 . . . . 0.0 111.404 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.41 -11.01 64.11 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.416 1.484 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 N--CA 1.473 0.717 0 CA-C-N 118.658 1.229 . . . . 0.0 111.54 170.897 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.76 20.36 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -169.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.58 150.13 47.77 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.667 -1.271 . . . . 0.0 113.007 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -123.25 134.59 54.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.794 2.038 . . . . 0.0 110.211 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.8 p -79.5 168.65 19.14 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.485 -0.76 . . . . 0.0 112.47 171.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -53.97 -47.06 71.76 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.114 -0.991 . . . . 0.0 112.831 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.81 -35.09 64.84 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.355 -0.84 . . . . 0.0 112.465 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.53 -30.84 69.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 111.752 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.34 -45.1 70.25 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.175 0.99 . . . . 0.0 110.77 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.56 -35.96 75.25 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.188 -0.945 . . . . 0.0 112.101 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.75 -51.26 69.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 117.903 -1.046 . . . . 0.0 111.161 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 tt -49.59 -47.8 49.18 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.322 1.419 . . . . 0.0 111.339 173.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.44 -49.37 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 119.187 0.903 . . . . 0.0 112.184 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -69.89 -27.54 64.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.848 0.749 . . . . 0.0 112.852 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -86.91 -48.13 8.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.976 1.262 . . . . 0.0 113.688 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -87.04 -46.3 9.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.827 0.74 . . . . 0.0 112.259 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -82.78 -26.79 31.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.711 0.687 . . . . 0.0 110.803 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.306 6.0 t . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 127.769 2.428 . . . . 0.0 113.816 169.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.65 -23.67 66.22 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.869 -1.144 . . . . 0.0 112.998 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -26.52 67.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.485 1.114 . . . . 0.0 112.697 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.85 -35.79 28.96 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.741 0.817 . . . . 0.0 110.366 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -63.62 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 117.897 -1.049 . . . . 0.0 111.967 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -62.62 -34.25 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 120.04 1.291 . . . . 0.0 112.028 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -73.47 -36.57 65.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.179 0.899 . . . . 0.0 112.672 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.29 -39.26 92.38 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.689 1.131 . . . . 0.0 111.991 171.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -62.26 -37.2 84.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.805 172.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.03 -27.3 60.88 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.586 1.154 . . . . 0.0 113.457 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -75.05 -26.96 59.81 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 112.474 170.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.73 -51.55 40.21 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.577 1.151 . . . . 0.0 109.497 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.87 -22.21 35.21 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.002 1.721 . . . . 0.0 113.83 173.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -61.3 -21.46 63.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.557 1.543 . . . . 0.0 113.078 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -84.8 -31.27 23.98 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.532 1.133 . . . . 0.0 112.815 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -161.62 125.78 3.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.741 1.616 . . . . 0.0 111.521 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.5 129.97 41.58 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 114.051 -171.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 78.51 -45.46 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.887 3.275 . . . . 0.0 112.206 171.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -136.47 120.8 18.01 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 109.484 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.0 m -97.65 123.95 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.164 1.385 . . . . 0.0 110.196 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.16 155.41 30.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.298 0.57 . . . . 0.0 110.123 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -50.73 -34.91 28.89 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.48 1.512 . . . . 0.0 114.359 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -62.72 -45.6 91.96 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.084 -1.01 . . . . 0.0 112.163 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.6 -32.13 63.94 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.812 0.845 . . . . 0.0 111.709 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.2 -47.48 85.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.574 0.75 . . . . 0.0 111.166 169.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -66.21 -38.66 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.569 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -57.04 -42.96 81.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.473 1.033 . . . . 0.0 111.556 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.96 -35.27 76.57 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.04 -28.96 69.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.629 1.104 . . . . 0.0 111.656 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.39 81.04 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.213 0.911 . . . . 0.0 111.818 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.29 85.53 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.268 1.034 . . . . 0.0 111.901 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -53.85 -50.46 66.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.732 1.151 . . . . 0.0 110.876 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.67 82.81 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.586 0.755 . . . . 0.0 113.026 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 ttp -74.64 -33.7 62.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.104 1.361 . . . . 0.0 113.25 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -62.93 -39.17 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 110.091 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -74.5 50.39 0.42 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.041 1.737 . . . . 0.0 113.971 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -49.75 -24.71 2.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.092 2.157 . . . . 0.0 115.559 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -54.86 -31.55 59.72 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.755 1.161 . . . . 0.0 112.67 170.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.51 -27.69 58.86 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.092 -1.005 . . . . 0.0 113.167 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -76.09 -34.37 59.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.459 1.104 . . . . 0.0 110.913 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.44 -42.23 65.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.038 0.935 . . . . 0.0 112.434 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 C-N-CA 125.62 1.581 . . . . 0.0 113.315 178.18 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.85 73.11 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -44.9 99.9 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-O 117.532 -1.223 . . . . 0.0 114.19 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.51 -38.21 83.23 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 123.971 3.114 . . . . 0.0 114.652 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 tp -75.37 -40.64 57.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.164 0.893 . . . . 0.0 111.61 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.95 -36.82 82.55 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.414 1.085 . . . . 0.0 112.196 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -72.35 -31.33 65.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.439 170.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.09 -45.75 59.46 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.809 1.186 . . . . 0.0 112.207 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 pt -64.69 -34.72 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.206 -0.933 . . . . 0.0 110.755 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.01 -32.12 79.07 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.711 1.148 . . . . 0.0 112.838 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -49.66 63.78 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.55 1.14 . . . . 0.0 110.902 174.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.42 -40.75 83.32 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.808 0.843 . . . . 0.0 111.502 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.51 -45.88 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.541 0.609 . . . . 0.0 110.887 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.95 67.23 Favored Glycine 0 N--CA 1.47 0.903 0 C-N-CA 124.708 1.147 . . . . 0.0 113.997 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.48 -39.82 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.692 1.246 . . . . 0.0 112.113 171.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -71.34 -59.42 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.976 0.807 . . . . 0.0 112.176 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -72.53 -20.63 61.31 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -51.77 -38.79 56.95 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.221 1.408 . . . . 0.0 112.62 169.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -76.1 -22.13 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -76.26 -36.14 58.61 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.051 -1.031 . . . . 0.0 110.543 168.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.42 -14.34 48.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 126.208 1.861 . . . . 0.0 114.503 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.45 -37.84 79.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.547 1.139 . . . . 0.0 111.236 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -102.68 -18.93 14.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.389 1.476 . . . . 0.0 112.337 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.07 23.69 43.97 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.161 1.362 . . . . 0.0 113.003 -170.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -84.46 172.99 11.22 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.878 1.271 . . . . 0.0 113.245 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.38 -176.37 1.49 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.46 49.82 0.5 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.619 1.968 . . . . 0.0 114.407 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -147.49 139.78 24.48 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.887 1.675 . . . . 0.0 110.537 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.42 144.17 46.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.79 1.236 . . . . 0.0 110.904 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.9 p -77.83 160.75 28.13 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.021 -1.049 . . . . 0.0 110.233 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -59.28 -26.22 64.77 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.698 -1.251 . . . . 0.0 113.782 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -81.09 -37.77 28.4 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.044 -1.035 . . . . 0.0 113.073 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.86 -33.82 76.44 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.665 1.12 . . . . 0.0 110.943 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.68 -39.03 90.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.188 0.995 . . . . 0.0 110.553 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -59.21 -41.55 88.84 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.788 1.177 . . . . 0.0 111.608 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.89 -40.2 94.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.774 0.716 . . . . 0.0 111.998 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.35 -52.77 63.82 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.133 0.879 . . . . 0.0 110.511 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -60.64 -37.35 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.309 1.043 . . . . 0.0 112.58 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.69 -26.71 66.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.124 1.329 . . . . 0.0 112.554 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -85.08 -47.45 10.18 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.674 1.124 . . . . 0.0 111.628 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -73.87 -49.96 22.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.442 1.097 . . . . 0.0 111.772 -169.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.53 55.51 0.91 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.877 2.071 . . . . 0.0 111.06 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 121.666 0.746 . . . . 0.0 110.394 170.041 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.6 -28.18 69.71 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.094 -1.628 . . . . 0.0 113.185 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.75 70.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 0.0 113.121 170.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -80.99 -36.66 30.43 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.98 0.912 . . . . 0.0 110.692 170.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.75 -48.56 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.793 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.2 m -64.28 -26.65 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.336 1.426 . . . . 0.0 112.581 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.52 -38.61 59.27 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.554 1.07 . . . . 0.0 112.283 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -40.68 88.48 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 169.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 57.9 mtm -69.49 -31.69 70.1 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.55 -35.96 80.06 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.505 1.122 . . . . 0.0 111.971 170.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -71.38 -28.38 63.99 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.116 -0.99 . . . . 0.0 112.918 171.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.99 -48.17 46.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.133 0.973 . . . . 0.0 110.115 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.04 -31.67 72.86 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.169 1.788 . . . . 0.0 113.483 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -54.78 -22.03 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.362 1.465 . . . . 0.0 114.356 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.48 -18.61 61.09 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -141.24 -158.55 0.87 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.093 2.157 . . . . 0.0 111.395 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -101.73 -30.17 11.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.664 1.586 . . . . 0.0 114.205 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -173.56 -35.51 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.773 1.629 . . . . 0.0 112.966 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -107.31 125.62 51.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.625 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.62 119.33 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.801 2.04 . . . . 0.0 108.787 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -78.55 153.19 31.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.583 0.753 . . . . 0.0 111.617 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -47.46 -41.84 21.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.367 1.867 . . . . 0.0 115.07 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -64.03 -43.36 95.81 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.539 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -71.9 -34.9 69.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.757 0.708 . . . . 0.0 111.397 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.44 -42.95 93.09 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 170.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.78 -38.11 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.325 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.3 m -56.17 -41.77 76.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.187 1.358 . . . . 0.0 111.243 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -66.91 -38.46 86.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.23 -23.34 66.6 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.581 1.082 . . . . 0.0 112.272 170.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.16 96.41 Favored Glycine 0 N--CA 1.469 0.855 0 CA-C-N 119.514 1.052 . . . . 0.0 112.651 170.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.71 75.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 112.455 171.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tp -66.89 -38.5 86.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.605 0.762 . . . . 0.0 111.832 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.42 97.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.96 -1.088 . . . . 0.0 111.286 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.9 -35.94 77.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -35.05 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.689 1.131 . . . . 0.0 112.746 178.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -74.02 50.82 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.269 1.028 . . . . 0.0 111.784 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.39 -23.87 51.91 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.947 1.699 . . . . 0.0 114.385 -169.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -50.65 -37.31 40.0 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.967 1.307 . . . . 0.0 112.421 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.94 -27.77 61.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.477 1.111 . . . . 0.0 113.18 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.38 -39.33 39.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 110.259 172.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt . . . . . 0 N--CA 1.474 0.763 0 C-N-CA 124.536 1.135 . . . . 0.0 112.503 176.252 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.062 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -54.34 -35.51 62.8 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -170.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.29 -31.57 21.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.222 1.409 . . . . 0.0 113.419 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.1 -19.4 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.7 t -97.23 -36.81 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.573 1.549 . . . . 0.0 109.292 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.79 -36.41 83.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.47 1.508 . . . . 0.0 110.924 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -54.55 -33.56 60.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.559 1.143 . . . . 0.0 113.132 172.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.52 -20.94 66.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.153 -0.967 . . . . 0.0 113.013 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 58.2 mt -91.53 -41.97 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.398 1.479 . . . . 0.0 110.799 172.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -50.98 -43.38 60.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.978 0.911 . . . . 0.0 113.192 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.2 -1.18 48.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -110.16 -41.0 4.54 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.473 1.509 . . . . 0.0 113.482 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -124.11 132.32 8.29 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.795 1.188 . . . . 0.0 114.533 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -172.76 126.47 0.48 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.794 2.437 . . . . 0.0 109.99 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -164.42 -59.92 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.544 1.138 . . . . 0.0 112.654 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.29 -25.05 60.51 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 22.8 mmt -52.66 -47.89 66.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.898 0.879 . . . . 0.0 111.243 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -65.94 -19.46 65.87 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.778 1.231 . . . . 0.0 112.858 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -85.59 -47.22 10.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.139 1.376 . . . . 0.0 111.819 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 62.2 m -71.79 -49.78 35.7 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.311 1.444 . . . . 0.0 112.458 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.7 -34.19 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.835 0.743 . . . . 0.0 111.66 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -60.39 -28.85 68.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.198 0.999 . . . . 0.0 113.328 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -99.2 -38.08 9.04 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.53 66.8 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -171.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 37.2 m95 . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 124.747 1.219 . . . . 0.0 113.391 176.242 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -44.15 74.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.286 0.634 . . . . 0.0 112.546 -175.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -31.61 69.62 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.29 1.436 . . . . 0.0 113.42 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -81.29 -16.46 52.45 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.557 1.071 . . . . 0.0 113.328 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.0 t -87.79 -38.26 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.127 1.371 . . . . 0.0 109.738 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 38.4 mt -68.71 -32.5 72.34 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.765 1.626 . . . . 0.0 111.379 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.03 -45.4 79.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 112.127 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -77.09 -12.97 60.01 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 80.3 mt -87.18 -43.63 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.845 1.258 . . . . 0.0 110.967 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -54.36 -39.6 67.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.452 1.501 . . . . 0.0 113.102 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.27 -1.32 3.24 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.106 1.362 . . . . 0.0 114.642 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.15 -16.8 56.1 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.295 1.038 . . . . 0.0 113.0 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 112.56 -173.28 15.19 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.961 1.744 . . . . 0.0 114.607 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.14 162.27 25.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.606 1.962 . . . . 0.0 111.76 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -155.39 -61.79 0.11 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.786 1.235 . . . . 0.0 112.279 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.73 -26.81 67.45 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.58 -52.11 66.94 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.853 0.861 . . . . 0.0 109.86 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -60.02 -28.36 67.67 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.124 -0.985 . . . . 0.0 112.778 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -76.29 -25.89 55.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.775 0.716 . . . . 0.0 112.606 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 27.9 m -97.1 -47.2 5.87 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.302 1.441 . . . . 0.0 112.838 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.3 mm -54.3 -49.7 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.453 1.101 . . . . 0.0 111.317 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -53.58 -38.19 63.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.294 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.54 -25.4 64.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.412 1.085 . . . . 0.0 113.775 -176.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -90.46 -35.0 15.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.244 1.018 . . . . 0.0 111.393 169.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 125.417 1.487 . . . . 0.0 113.335 -169.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -40.2 -44.46 4.28 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -174.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -70.69 -30.5 17.88 Favored 'Trans proline' 0 C--N 1.356 0.97 0 CA-C-N 122.805 2.037 . . . . 0.0 113.477 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -82.02 -39.3 23.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.804 1.184 . . . . 0.0 111.666 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -56.93 -38.27 72.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.095 . . . . 0.0 112.558 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -67.03 -29.14 68.87 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.28 10.09 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.335 0.971 . . . . 0.0 112.789 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.252 10.6 pt -66.86 -26.51 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 120.812 -1.18 . . . . 0.0 111.588 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.85 -22.39 79.11 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.652 1.12 . . . . 0.0 113.272 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -51.05 56.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.285 1.542 . . . . 0.0 109.679 171.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -57.62 -41.52 81.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.102 0.961 . . . . 0.0 111.542 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.54 -45.98 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.274 0.943 . . . . 0.0 111.406 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -32.63 82.26 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.728 1.156 . . . . 0.0 112.719 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.08 -55.54 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 118.436 1.118 . . . . 0.0 110.294 169.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.1 -55.05 40.02 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.252 1.421 . . . . 0.0 114.563 -169.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.75 -22.25 66.05 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -168.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -55.73 -44.6 77.67 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.695 0.679 . . . . 0.0 111.681 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -81.58 -36.24 29.24 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.945 1.298 . . . . 0.0 112.52 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -61.58 -24.22 66.52 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.54 1.064 . . . . 0.0 113.704 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 14.12 65.71 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.594 1.569 . . . . 0.0 115.098 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm . . . . . 0 CA--C 1.542 0.637 0 CA-C-N 119.37 1.585 . . . . 0.0 110.982 173.08 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm . . . . . 0 CA--C 1.543 0.706 0 CA-C-O 121.575 0.703 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 30.03 4.47 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.943 2.097 . . . . 0.0 113.025 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -143.73 152.5 41.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.016 2.127 . . . . 0.0 111.29 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -116.13 134.04 55.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.083 1.753 . . . . 0.0 111.073 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.6 p -79.62 170.76 16.08 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.335 -0.853 . . . . 0.0 110.838 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -55.25 -49.87 70.92 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.338 -1.476 . . . . 0.0 113.299 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -70.01 -33.99 72.72 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.72 -33.71 74.4 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.241 1.416 . . . . 0.0 111.438 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.47 HD11 HD13 ' A' ' 60' ' ' LEU . 2.6 tm? -71.07 -44.17 66.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.852 1.261 . . . . 0.0 110.872 169.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -40.87 76.6 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.745 -1.222 . . . . 0.0 111.055 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.27 -51.58 68.77 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.727 1.211 . . . . 0.0 111.651 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.21 -48.28 62.07 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.09 1.314 . . . . 0.0 111.689 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.7 -50.01 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.484 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -69.92 -26.91 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -87.54 -49.41 7.2 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.39 -46.12 9.93 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.046 0.839 . . . . 0.0 112.027 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -105.44 36.27 2.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.275 1.43 . . . . 0.0 109.754 -171.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.317 0 C-N-CA 127.815 2.446 . . . . 0.0 115.535 -168.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.17 -27.05 65.31 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.315 -1.49 . . . . 0.0 113.037 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.1 69.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.321 . . . . 0.0 112.82 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.33 -31.96 37.99 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.658 0.783 . . . . 0.0 111.495 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.1 mm -67.07 -42.06 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.086 1.312 . . . . 0.0 111.965 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -65.56 -30.57 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.395 0.998 . . . . 0.0 111.443 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -76.6 -36.62 57.39 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.728 -0.608 . . . . 0.0 112.159 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.91 -42.13 98.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.158 0.89 . . . . 0.0 111.136 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -60.82 -37.76 83.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.137 0.975 . . . . 0.0 112.026 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.07 -31.22 67.58 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.103 0.961 . . . . 0.0 113.141 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -73.53 -32.65 64.33 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.951 1.3 . . . . 0.0 112.59 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD13 HD11 ' A' ' 34' ' ' LEU . 1.1 mt -67.53 -43.61 80.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.568 1.547 . . . . 0.0 111.735 169.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.87 -18.21 64.73 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.067 1.347 . . . . 0.0 113.463 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -54.17 -27.4 33.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.785 1.634 . . . . 0.0 113.742 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -61.32 -30.29 70.4 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.563 1.145 . . . . 0.0 113.438 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -143.34 -132.15 0.09 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 110.783 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -168.78 97.2 0.38 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.869 2.068 . . . . 0.0 110.438 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 112.03 -14.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 131.252 3.821 . . . . 0.0 113.091 170.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -159.3 153.44 23.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.462 1.105 . . . . 0.0 112.43 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.6 t -127.2 112.15 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.388 1.875 . . . . 0.0 108.057 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -79.19 160.26 27.02 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.305 0.642 . . . . 0.0 110.672 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -49.17 -46.12 44.98 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -174.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -64.74 -36.7 85.13 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.196 -0.94 . . . . 0.0 112.244 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -71.59 -34.83 70.22 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.979 0.912 . . . . 0.0 111.842 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -61.73 -46.48 89.48 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.67 1.188 . . . . 0.0 111.204 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.4 mt -67.32 -35.59 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.334 -0.854 . . . . 0.0 111.782 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.2 m -61.14 -42.64 98.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 111.146 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.7 -39.87 91.69 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.104 0.865 . . . . 0.0 111.828 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.44 -22.94 67.11 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.048 0.84 . . . . 0.0 112.691 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.01 -36.47 60.77 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.267 0.937 . . . . 0.0 112.071 169.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.85 78.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 117.913 0.857 . . . . 0.0 111.062 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 tp -61.95 -39.52 92.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.687 1.195 . . . . 0.0 111.953 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.91 71.26 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.867 0.867 . . . . 0.0 112.436 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.8 ttm -74.31 -23.57 59.09 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -61.9 -29.37 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.35 0.977 . . . . 0.0 111.236 170.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.16 57.41 0.85 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.2 1.0 . . . . 0.0 111.63 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -50.76 -27.99 8.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.353 1.861 . . . . 0.0 115.284 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -68.66 -45.55 71.44 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.378 0.99 . . . . 0.0 111.767 174.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.78 74.31 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.252 1.021 . . . . 0.0 111.835 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -5.42 35.12 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.752 2.021 . . . . 0.0 113.748 173.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -117.38 -43.89 2.8 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.637 1.575 . . . . 0.0 112.627 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 CA-C-O 118.071 -1.405 . . . . 0.0 113.864 -179.521 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 111.235 0.087 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.68 -40.05 66.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -52.53 -43.83 93.11 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.44 -39.89 72.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.109 3.206 . . . . 0.0 114.365 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 40.7 tp -74.35 -43.41 56.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.339 0.972 . . . . 0.0 111.247 174.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.2 -41.68 93.51 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 0.0 111.103 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.5 -23.86 60.1 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.95 -42.03 58.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.48 1.037 . . . . 0.0 111.662 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 pt -67.9 -26.77 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.25 -0.906 . . . . 0.0 111.245 169.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.37 -22.7 74.88 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.871 1.224 . . . . 0.0 113.621 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.3 56.31 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.156 1.478 . . . . 0.0 110.51 171.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -56.88 -42.59 80.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.892 1.277 . . . . 0.0 112.098 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.4 mt -66.6 -47.25 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 118.303 0.502 . . . . 0.0 110.463 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.86 85.61 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.32 0.962 . . . . 0.0 114.1 -174.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.83 -44.08 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.588 1.194 . . . . 0.0 111.497 171.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -69.39 -50.11 49.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.711 0.687 . . . . 0.0 112.479 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -72.91 -24.02 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -61.4 -39.65 91.5 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.603 -0.686 . . . . 0.0 110.993 168.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.84 -41.93 20.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -60.96 -18.61 58.1 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.02 -7.13 86.6 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.979 -0.901 . . . . 0.0 114.604 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.06 -33.93 33.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.202 1.501 . . . . 0.0 113.512 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -158.89 -18.18 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.55 -171.99 31.17 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.113 1.34 . . . . 0.0 114.423 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.72 -162.94 1.0 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.056 1.342 . . . . 0.0 111.246 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -62.44 -23.25 66.77 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.754 -1.216 . . . . 0.0 114.21 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.97 19.36 1.12 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.481 1.513 . . . . 0.0 114.393 -172.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 78.7 p -127.34 158.09 38.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.949 1.3 . . . . 0.0 112.29 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -126.62 144.58 50.85 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.076 2.151 . . . . 0.0 108.96 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -77.1 158.88 30.21 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.597 1.09 . . . . 0.0 109.458 168.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -61.81 -30.52 70.88 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.674 -1.891 . . . . 0.0 112.826 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -42.89 60.55 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.525 -1.36 . . . . 0.0 112.171 173.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -62.6 -38.69 91.13 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.03 1.332 . . . . 0.0 111.265 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.402 ' C ' HD13 ' B' ' 34' ' ' LEU . 2.5 tm? -63.52 -42.1 98.47 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.165 1.386 . . . . 0.0 111.927 169.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -54.47 -43.86 72.07 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.938 1.245 . . . . 0.0 110.726 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.54 -40.61 93.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.665 0.786 . . . . 0.0 112.455 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.49 -48.02 78.04 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.329 -0.844 . . . . 0.0 111.063 170.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.8 -42.35 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.841 1.2 . . . . 0.0 111.193 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -60.28 -34.2 73.41 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.111 1.323 . . . . 0.0 112.677 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -86.91 -24.81 24.7 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -84.95 -52.42 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.165 1.786 . . . . 0.0 111.417 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -117.7 74.28 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.906 2.483 . . . . 0.0 107.791 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 54.4 m . . . . . 0 N--CA 1.47 0.541 0 C-N-CA 124.617 1.167 . . . . 0.0 109.737 -175.77 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.69 -39.82 74.5 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.384 -1.448 . . . . 0.0 112.498 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.01 70.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 112.679 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -80.73 -31.68 35.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.731 0.812 . . . . 0.0 111.613 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -70.97 -39.94 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.999 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.0 m -66.32 -28.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.981 1.264 . . . . 0.0 111.836 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -70.35 -46.63 63.73 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.874 0.87 . . . . 0.0 111.445 169.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.98 -44.4 82.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.047 0.939 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -62.13 -41.19 98.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.799 1.639 . . . . 0.0 112.678 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -73.68 -30.54 62.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.918 0.781 . . . . 0.0 112.807 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.5 -25.53 60.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.139 0.976 . . . . 0.0 112.568 170.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.62 -43.42 55.56 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.23 169.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.39 -9.91 57.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.44 1.496 . . . . 0.0 114.338 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -58.42 -20.51 45.22 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.279 1.032 . . . . 0.0 112.735 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -66.25 -18.1 65.15 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.782 1.633 . . . . 0.0 113.732 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -151.72 -122.12 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.715 2.006 . . . . 0.0 110.603 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -163.22 19.59 0.08 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.274 1.429 . . . . 0.0 114.81 -175.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -176.01 -24.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.655 1.582 . . . . 0.0 113.542 -170.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -155.76 151.72 27.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.849 1.26 . . . . 0.0 112.036 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 44.1 t -119.33 122.47 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.936 2.095 . . . . 0.0 108.823 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -89.68 153.17 20.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.106 0.962 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.45 -42.91 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.42 -43.16 95.23 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.371 0.532 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.97 -34.25 73.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.2 . . . . 0.0 111.911 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -58.56 -39.93 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.583 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.33 -36.85 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 121.194 -0.941 . . . . 0.0 112.349 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -59.71 -37.03 77.73 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.063 1.301 . . . . 0.0 111.332 171.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -68.55 -41.06 80.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.684 0.793 . . . . 0.0 112.194 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.38 -30.59 71.7 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.212 0.914 . . . . 0.0 112.235 171.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.5 -25.04 69.85 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-O 118.392 -1.227 . . . . 0.0 113.188 170.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.02 -50.36 9.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.337 1.568 . . . . 0.0 110.56 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.36 -48.1 62.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.651 1.18 . . . . 0.0 111.505 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.53 61.19 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.495 1.118 . . . . 0.0 113.24 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 12.9 ttt -80.72 -42.39 21.99 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.753 1.221 . . . . 0.0 111.639 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.51 -24.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.053 1.741 . . . . 0.0 111.546 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -55.13 -29.12 57.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.178 0.991 . . . . 0.0 112.505 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.253 7.3 p30 51.43 -50.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 1 C-N-CA 133.031 4.532 . . . . 0.0 118.068 169.687 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.17 -28.82 67.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.499 1.12 . . . . 0.0 111.33 172.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.91 77.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.442 1.097 . . . . 0.0 113.014 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.6 mt -67.42 -49.17 64.93 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.592 0.633 . . . . 0.0 110.439 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 123.737 0.815 . . . . 0.0 112.836 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.957 -0.457 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.94 -29.97 68.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.637 1.175 . . . . 0.0 113.323 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 74.1 mtm -53.76 -30.24 43.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.808 1.243 . . . . 0.0 112.556 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -68.13 -17.94 64.5 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.08 -42.9 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.319 1.448 . . . . 0.0 109.284 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.3 -35.83 80.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.161 1.384 . . . . 0.0 112.074 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -67.7 -23.32 65.27 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.212 -0.93 . . . . 0.0 112.997 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -69.53 -23.61 63.61 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.974 -1.079 . . . . 0.0 112.999 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.48 -26.24 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.383 1.073 . . . . 0.0 111.107 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -53.9 -37.38 63.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.282 -0.886 . . . . 0.0 112.212 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.27 -2.96 58.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.178 1.791 . . . . 0.0 113.905 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -103.61 -28.82 11.49 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.629 1.571 . . . . 0.0 111.873 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -65.26 157.97 46.31 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.165 1.364 . . . . 0.0 113.078 173.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -91.17 162.29 14.72 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.132 1.373 . . . . 0.0 112.936 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.43 -14.95 32.37 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.217 1.407 . . . . 0.0 113.232 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -59.93 -27.36 66.71 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.587 1.155 . . . . 0.0 113.56 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 36.8 ttm -54.93 -53.71 52.15 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.914 0.886 . . . . 0.0 110.057 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -72.64 -24.48 61.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.522 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -36.32 83.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.435 1.471 . . . . 0.0 111.813 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 45.9 m -76.96 -44.89 29.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 112.348 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 82.1 mt -66.2 -45.36 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.017 0.371 . . . . 0.0 111.477 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 112.999 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -58.68 -49.79 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.997 -1.064 . . . . 0.0 112.142 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.612 0.765 . . . . 0.0 112.529 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 68.2 t90 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 124.722 1.209 . . . . 0.0 112.74 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.108 0 CA-C-O 119.322 -0.71 . . . . 0.0 114.254 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . 0.502 ' H ' HD23 ' D' ' 192' ' ' LEU . 1.9 pt? -55.2 -37.48 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.638 1.175 . . . . 0.0 112.221 175.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -55.65 -30.84 61.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.613 1.565 . . . . 0.0 113.133 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.01 -25.8 64.68 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.611 1.096 . . . . 0.0 112.913 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.23 -36.85 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.229 1.411 . . . . 0.0 109.781 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 58.0 mt -72.1 -24.55 61.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.934 1.693 . . . . 0.0 113.07 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.38 -29.43 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.13 -0.982 . . . . 0.0 112.319 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -64.82 -19.71 66.0 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.379 -0.826 . . . . 0.0 113.066 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.75 -45.67 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.419 1.488 . . . . 0.0 110.756 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -51.54 -41.95 61.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.596 1.158 . . . . 0.0 113.293 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.58 -5.33 56.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.767 1.227 . . . . 0.0 113.927 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -110.96 -38.94 4.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.666 1.586 . . . . 0.0 114.266 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.79 139.7 20.26 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 115.699 1.039 . . . . 0.0 115.699 -169.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -153.97 44.16 0.57 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.126 2.17 . . . . 0.0 109.854 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.38 -168.56 1.74 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.594 1.958 . . . . 0.0 114.728 -169.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.66 -24.56 57.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -61.62 -37.67 84.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.361 0.982 . . . . 0.0 111.119 173.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -65.42 -25.53 67.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.639 -1.288 . . . . 0.0 111.564 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -78.5 -42.6 29.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.531 1.133 . . . . 0.0 111.895 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 70.5 p -69.87 -38.38 76.39 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.682 1.128 . . . . 0.0 111.895 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 25.4 mm -61.79 -42.45 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.562 1.145 . . . . 0.0 111.86 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.45 -47.42 84.05 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.079 0.854 . . . . 0.0 111.247 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.87 -48.2 82.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.252 -0.905 . . . . 0.0 112.348 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.31 74.05 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.2 t90 . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 123.921 0.888 . . . . 0.0 111.602 177.525 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -40.9 -51.39 7.25 Favored Pre-proline 0 CA--C 1.547 0.837 0 N-CA-C 117.306 2.335 . . . . 0.0 117.306 -169.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.51 -34.65 14.94 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.707 1.605 . . . . 0.0 112.49 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.4 tp -75.86 -39.48 56.47 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.107 0.867 . . . . 0.0 111.46 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.6 -38.77 90.42 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.06 0.544 . . . . 0.0 110.874 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -69.61 -31.02 68.9 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.494 -0.754 . . . . 0.0 112.725 172.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.86 69.47 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.875 1.216 . . . . 0.0 112.545 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 pt -63.22 -30.43 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 118.931 0.787 . . . . 0.0 111.001 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -33.71 87.98 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.88 1.229 . . . . 0.0 113.255 172.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.99 62.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.225 1.012 . . . . 0.0 110.105 173.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.07 -39.56 78.83 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.488 1.115 . . . . 0.0 112.369 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.68 -52.14 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.549 1.068 . . . . 0.0 110.43 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.55 -31.93 71.08 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.471 -0.627 . . . . 0.0 113.389 -175.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -68.23 -37.49 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.309 1.054 . . . . 0.0 112.473 172.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -80.12 -50.82 9.78 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.777 0.717 . . . . 0.0 112.019 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -68.39 -26.74 65.71 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -62.83 -33.11 74.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.33 -0.856 . . . . 0.0 112.813 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -80.44 -37.54 31.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.187 0.995 . . . . 0.0 111.997 172.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.8 m -56.43 -43.16 79.14 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.254 0.934 . . . . 0.0 113.453 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.94 -5.99 54.59 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 119.06 -0.856 . . . . 0.0 115.072 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm . . . . . 0 CA--C 1.546 0.791 0 CA-C-N 119.099 1.45 . . . . 0.0 113.043 177.673 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttp . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.03 49.24 0.64 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.112 1.765 . . . . 0.0 112.417 -169.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -123.42 162.58 22.53 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.555 1.542 . . . . 0.0 111.096 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.4 mt -128.61 137.52 51.73 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.239 1.416 . . . . 0.0 109.639 169.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.9 p -77.73 164.53 25.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.74 -1.225 . . . . 0.0 109.246 169.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -56.86 -35.08 68.46 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.481 -1.387 . . . . 0.0 112.643 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.64 -43.6 72.31 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.942 -1.099 . . . . 0.0 112.836 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.92 -35.42 78.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.402 -0.811 . . . . 0.0 112.175 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.05 -40.23 78.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.027 1.731 . . . . 0.0 110.755 172.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -57.27 -46.53 82.99 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.613 -1.305 . . . . 0.0 111.31 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -60.12 -36.59 77.81 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.18 0.992 . . . . 0.0 112.217 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.51 -52.73 56.32 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 110.705 169.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.3 mt -57.3 -46.95 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.789 1.177 . . . . 0.0 112.064 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.02 -34.35 76.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.424 0.557 . . . . 0.0 112.416 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.38 7.2 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 176.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.92 -14.27 42.35 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.117 1.367 . . . . 0.0 114.119 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -120.13 43.78 2.6 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 167.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.476 0.872 1 C-N-CA 131.911 4.084 . . . . 0.0 114.707 -169.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.5 -26.31 68.47 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.165 -1.584 . . . . 0.0 114.139 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.9 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.466 1.106 . . . . 0.0 113.557 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -80.78 -38.11 29.08 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 109.516 169.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.7 mm -61.64 -42.4 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.018 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.8 m -64.32 -28.13 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.56 1.527 . . . . 0.0 112.867 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -74.6 -31.86 62.17 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.312 0.96 . . . . 0.0 113.084 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.95 -36.18 72.47 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.028 -1.045 . . . . 0.0 111.838 171.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 mtp -62.19 -39.38 92.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.929 1.292 . . . . 0.0 112.163 171.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.99 -32.98 73.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.837 0.855 . . . . 0.0 112.386 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.77 -33.64 52.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 112.784 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.56 -48.11 65.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -77.96 -7.16 56.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.906 0.882 . . . . 0.0 112.525 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -55.21 -28.83 55.86 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.622 1.101 . . . . 0.0 112.713 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -82.98 -2.96 56.58 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -143.81 -29.25 0.51 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 62.73 19.27 11.29 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.944 2.498 . . . . 0.0 113.546 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -148.62 -82.75 0.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.865 1.666 . . . . 0.0 109.528 -169.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -128.79 141.64 51.24 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.289 2.235 . . . . 0.0 108.42 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -79.88 106.79 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.91 1.284 . . . . 0.0 108.677 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -80.33 157.94 26.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 111.652 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.43 -42.61 87.66 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -169.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 -40.93 90.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.559 1.072 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -66.77 -36.32 82.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.235 1.414 . . . . 0.0 112.097 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.53 -42.16 87.14 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.81 0.844 . . . . 0.0 111.331 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.32 -40.55 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.237 -0.914 . . . . 0.0 111.686 177.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -54.49 -41.17 69.26 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.633 1.106 . . . . 0.0 111.536 170.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -39.33 76.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.31 -28.96 68.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.535 1.061 . . . . 0.0 111.696 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.8 -34.57 90.25 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.063 0.839 . . . . 0.0 113.42 169.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.57 -44.37 57.51 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.777 1.289 . . . . 0.0 111.834 170.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.15 -45.32 79.68 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.247 1.019 . . . . 0.0 110.903 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.87 69.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.053 1.341 . . . . 0.0 113.821 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.12 -34.26 43.54 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 112.661 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.08 -33.62 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.764 0.826 . . . . 0.0 110.679 171.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -70.91 43.92 0.08 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.352 1.461 . . . . 0.0 111.798 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -52.44 -22.29 4.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.016 2.526 . . . . 0.0 117.466 -168.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.73 -22.06 66.9 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 120.775 1.625 . . . . 0.0 112.825 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.57 -53.21 9.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.935 1.694 . . . . 0.0 111.774 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.2 tp -78.68 46.29 0.65 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.771 2.028 . . . . 0.0 111.911 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -153.58 -27.07 0.14 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.331 1.452 . . . . 0.0 113.208 -169.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.228 0 CA-C-O 117.638 -1.645 . . . . 0.0 113.215 177.225 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.19 77.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.05 -37.52 33.48 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -59.25 -39.17 80.71 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.046 2.498 . . . . 0.0 113.896 169.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -76.32 -40.91 50.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.952 0.796 . . . . 0.0 111.711 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.87 -37.42 84.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.12 1.368 . . . . 0.0 112.271 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -76.32 -20.86 56.86 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.83 -48.12 12.87 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.474 1.034 . . . . 0.0 112.045 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 pt -63.36 -32.33 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.088 -1.008 . . . . 0.0 110.65 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.84 70.28 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.789 1.185 . . . . 0.0 113.914 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -50.52 34.24 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.791 1.295 . . . . 0.0 110.015 171.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.31 -42.39 81.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.809 0.843 . . . . 0.0 111.251 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.28 -45.66 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 CA-C-N 118.816 0.734 . . . . 0.0 111.08 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.73 -33.5 86.15 Favored Glycine 0 N--CA 1.47 0.935 0 C-N-CA 124.523 1.059 . . . . 0.0 112.877 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mt -72.15 -57.39 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 117.893 0.847 . . . . 0.0 109.879 169.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.48 -51.11 68.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.467 0.707 . . . . 0.0 112.841 -173.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -70.81 -25.6 62.93 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -172.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.52 -41.77 99.06 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.442 -0.786 . . . . 0.0 111.363 169.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -81.33 -43.85 18.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.3 p -65.63 -26.14 67.69 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.098 1.772 . . . . 0.0 112.851 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.99 -2.54 58.25 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.828 1.204 . . . . 0.0 115.231 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.32 -40.17 81.76 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.936 1.368 . . . . 0.0 113.011 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -82.71 -22.48 34.48 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.87 -166.5 31.94 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.895 1.236 . . . . 0.0 113.224 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 103.28 1.25 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.313 1.045 . . . . 0.0 111.054 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -146.44 170.46 16.8 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.66 1.584 . . . . 0.0 113.292 -169.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -139.12 21.37 2.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.57 1.948 . . . . 0.0 112.977 172.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -143.31 141.05 30.85 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.268 2.227 . . . . 0.0 109.655 -173.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.3 131.58 39.78 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.668 1.187 . . . . 0.0 111.079 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.5 t -78.78 150.99 32.24 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.555 -0.715 . . . . 0.0 109.981 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -57.84 -34.66 69.94 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.22 -1.55 . . . . 0.0 114.136 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -74.62 -30.77 61.78 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.57 1.548 . . . . 0.0 113.496 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.33 -38.01 63.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.847 2.059 . . . . 0.0 109.852 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.23 -43.63 98.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.537 1.535 . . . . 0.0 109.719 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -62.38 -29.26 70.35 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.675 -1.266 . . . . 0.0 112.497 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -50.04 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.147 1.379 . . . . 0.0 110.916 169.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.17 -50.97 57.96 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.903 1.281 . . . . 0.0 111.049 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.4 -53.82 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.327 0.512 . . . . 0.0 111.349 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -65.86 -23.8 66.74 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -86.7 -51.35 6.17 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -86.69 -41.05 14.5 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.611 0.764 . . . . 0.0 112.847 -172.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.61 -41.22 10.33 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.575 0.75 . . . . 0.0 110.313 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 130.53 3.532 . . . . 0.0 112.276 177.341 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.76 -27.11 69.06 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.294 -0.879 . . . . 0.0 112.631 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.62 69.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.704 1.202 . . . . 0.0 112.751 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -81.54 -37.19 28.18 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.836 0.854 . . . . 0.0 111.361 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -61.35 -43.65 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.846 0.748 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.85 -26.93 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.945 0.793 . . . . 0.0 112.097 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -79.04 -34.68 43.6 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.134 0.879 . . . . 0.0 112.091 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -43.34 87.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.993 -1.067 . . . . 0.0 110.373 170.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -58.26 -40.95 83.17 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.362 1.065 . . . . 0.0 111.476 171.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.39 -34.66 78.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.703 1.201 . . . . 0.0 113.262 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.76 -18.36 59.57 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -81.44 -47.56 13.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 110.025 168.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.36 -12.36 20.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.175 2.19 . . . . 0.0 113.431 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.03 -25.08 65.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.575 1.95 . . . . 0.0 112.837 169.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -69.98 -40.08 75.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.872 0.869 . . . . 0.0 112.64 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.51 131.4 2.62 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.784 2.034 . . . . 0.0 109.57 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -68.97 29.27 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 -168.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -156.27 -51.93 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.008 -1.058 . . . . 0.0 110.978 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -138.97 135.91 34.84 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 110.334 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.15 119.08 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.303 2.241 . . . . 0.0 108.557 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -77.85 160.44 28.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 111.659 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.87 -47.07 68.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.716 1.206 . . . . 0.0 114.224 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.34 -30.95 70.91 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.512 -0.743 . . . . 0.0 112.373 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -74.32 -38.73 63.22 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.365 1.066 . . . . 0.0 110.859 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -59.98 -44.72 94.31 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -68.67 -34.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.266 -0.896 . . . . 0.0 112.289 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.7 m -62.24 -40.36 95.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.671 1.123 . . . . 0.0 111.089 173.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.29 -38.93 85.82 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.245 0.618 . . . . 0.0 112.156 172.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.59 -22.09 66.71 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.344 -0.847 . . . . 0.0 112.606 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.79 -38.23 92.89 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 119.871 1.214 . . . . 0.0 112.158 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -40.63 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.94 0.87 . . . . 0.0 111.677 169.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.54 -15.55 63.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.793 0.837 . . . . 0.0 113.105 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.62 -45.2 16.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.503 1.121 . . . . 0.0 109.379 168.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 ttm -67.34 -25.86 66.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.948 1.299 . . . . 0.0 113.892 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.97 -29.61 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.114 0.87 . . . . 0.0 112.385 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.34 53.06 0.81 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.72 1.608 . . . . 0.0 111.584 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -42.48 -36.75 1.41 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.9 2.88 . . . . 0.0 115.881 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.86 -27.33 62.8 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.249 0.932 . . . . 0.0 113.22 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.79 65.17 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.979 -1.076 . . . . 0.0 112.12 169.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.32 16.28 18.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.627 1.971 . . . . 0.0 112.111 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt . . . . . 0 N--CA 1.478 0.944 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 168.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.219 0 CA-C-O 118.806 -0.997 . . . . 0.0 114.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.13 -68.05 0.22 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.157 1.383 . . . . 0.0 111.038 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 26.2 mmt -59.47 -27.95 66.57 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.364 -0.835 . . . . 0.0 112.584 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -66.67 -18.91 65.62 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 55.1 t -96.65 -32.97 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.65 1.18 . . . . 0.0 109.923 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.71 -30.82 70.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.295 1.438 . . . . 0.0 111.894 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.63 -30.16 60.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.391 1.076 . . . . 0.0 112.862 172.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -65.28 -22.8 66.89 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.187 -0.946 . . . . 0.0 113.084 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 54.5 mt -87.9 -43.52 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.008 1.323 . . . . 0.0 110.522 169.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -50.73 -42.24 57.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.262 1.025 . . . . 0.0 113.561 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.68 -10.06 59.35 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -110.45 14.02 22.64 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.181 2.192 . . . . 0.0 112.054 172.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -60.97 151.06 42.36 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.363 1.459 . . . . 0.0 116.513 -169.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.83 161.36 21.19 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.699 2.399 . . . . 0.0 115.401 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -112.89 -2.23 14.38 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.891 2.077 . . . . 0.0 113.756 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -91.39 -28.44 17.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.878 1.217 . . . . 0.0 113.294 170.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 39.1 ttm -50.23 -48.58 54.46 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.298 1.439 . . . . 0.0 111.386 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -56.38 -37.16 69.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.709 0.804 . . . . 0.0 112.936 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -74.1 -37.83 64.04 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.774 0.83 . . . . 0.0 111.096 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 92.9 m -73.73 -37.27 65.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.884 1.273 . . . . 0.0 111.877 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.03 -47.53 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.894 0.878 . . . . 0.0 110.429 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.16 -37.8 84.18 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 122.001 -0.437 . . . . 0.0 112.012 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -63.96 -57.18 10.51 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.685 0.794 . . . . 0.0 111.966 170.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -51.31 -25.66 6.25 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.488 1.915 . . . . 0.0 114.255 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 125.413 1.485 . . . . 0.0 112.931 175.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.223 0 N-CA-C 115.074 0.79 . . . . 0.0 115.074 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 pp -52.72 -40.5 63.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.378 1.471 . . . . 0.0 113.977 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -26.42 49.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.928 1.291 . . . . 0.0 113.598 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -71.37 -17.29 62.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.101 0.96 . . . . 0.0 113.51 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 52.3 t -97.3 -38.54 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.121 1.368 . . . . 0.0 109.528 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.52 -35.28 79.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.053 1.341 . . . . 0.0 111.769 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -55.78 -34.3 65.14 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.345 1.058 . . . . 0.0 112.496 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.43 -15.2 63.54 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 21.7 mm -90.86 -46.85 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 110.244 169.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.81 -38.44 67.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.75 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -1.17 9.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -174.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.56 -22.58 63.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.499 1.12 . . . . 0.0 113.07 170.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 127.83 159.74 10.18 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.956 1.741 . . . . 0.0 113.23 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.66 27.48 0.44 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.079 1.352 . . . . 0.0 113.619 -170.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.9 -50.71 65.45 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.063 -1.023 . . . . 0.0 112.014 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.6 -26.29 68.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.379 1.071 . . . . 0.0 113.407 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 46.9 tpp -58.46 -46.8 85.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.449 1.1 . . . . 0.0 110.586 172.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.7 -29.6 65.94 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.426 -0.796 . . . . 0.0 112.605 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.37 -30.52 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.239 1.382 . . . . 0.0 112.506 172.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 87.4 m -73.11 -49.91 25.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.497 1.519 . . . . 0.0 110.863 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 68.8 mt -75.64 -41.83 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.23 -172.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -53.05 -44.44 67.44 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.166 1.348 . . . . 0.0 112.558 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -69.59 -11.8 61.13 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.67 10.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.25 1.02 . . . . 0.0 110.612 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.0 t90 . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 125.349 1.46 . . . . 0.0 112.273 -178.162 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -58.03 -31.42 10.07 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -175.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.61 -43.21 28.09 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.574 2.183 . . . . 0.0 113.021 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.75 -45.14 53.77 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 118.797 0.726 . . . . 0.0 111.385 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -63.3 -33.37 75.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.604 0.761 . . . . 0.0 112.386 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.55 -34.89 60.76 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.562 -0.711 . . . . 0.0 112.351 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.82 78.69 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.375 0.989 . . . . 0.0 112.108 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt -66.51 -25.92 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.319 -0.863 . . . . 0.0 111.817 172.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.43 82.11 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.753 1.168 . . . . 0.0 113.4 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -50.74 71.89 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.143 1.377 . . . . 0.0 109.841 175.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.02 -39.56 86.27 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.393 1.077 . . . . 0.0 112.233 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -64.82 -44.13 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.216 1.371 . . . . 0.0 110.862 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.53 -26.38 71.88 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 119.566 -0.574 . . . . 0.0 113.478 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.9 mt -73.24 -47.58 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.528 1.164 . . . . 0.0 110.831 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -59.01 3.1 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.295 1.038 . . . . 0.0 112.574 -174.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -68.2 -20.66 64.87 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.8 -45.41 74.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.776 1.23 . . . . 0.0 111.483 169.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.07 -40.26 20.11 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -67.7 -53.08 30.49 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.036 0.834 . . . . 0.0 111.802 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.05 46.64 2.67 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.922 1.725 . . . . 0.0 111.369 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 N--CA 1.472 0.668 0 CA-C-N 118.09 0.945 . . . . 0.0 113.002 178.893 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 tttt . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -74.29 51.69 0.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.395 2.278 . . . . 0.0 114.705 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.1 t -142.77 150.95 40.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.113 1.365 . . . . 0.0 111.51 174.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.19 132.73 56.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.111 1.764 . . . . 0.0 110.045 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -77.88 163.3 26.16 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 168.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -54.86 -28.65 51.61 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.485 -1.384 . . . . 0.0 114.2 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -80.87 -42.45 21.49 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 170.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.41 -34.68 77.23 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.294 1.406 . . . . 0.0 111.333 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.33 -48.62 80.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.121 1.768 . . . . 0.0 110.954 170.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -61.5 -35.82 78.75 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.974 -1.079 . . . . 0.0 112.714 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -63.1 -40.21 96.99 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.716 1.144 . . . . 0.0 111.463 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.1 -53.84 53.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.668 0.667 . . . . 0.0 110.52 170.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.15 -42.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 118.519 0.6 . . . . 0.0 111.897 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.74 -33.7 76.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -86.4 -33.72 20.39 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.68 1.127 . . . . 0.0 113.594 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -83.91 -49.24 9.19 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.172 0.589 . . . . 0.0 112.109 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.4 mt -113.39 38.82 2.77 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.244 1.818 . . . . 0.0 110.461 -173.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 127.693 2.397 . . . . 0.0 113.995 -169.723 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.05 -25.99 59.59 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.685 -1.26 . . . . 0.0 112.066 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.07 68.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.024 1.33 . . . . 0.0 113.118 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.49 -35.41 34.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.967 0.907 . . . . 0.0 111.15 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -67.72 -39.04 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.966 0.803 . . . . 0.0 111.573 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 m -65.9 -29.97 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.575 1.08 . . . . 0.0 111.72 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.23 -37.31 61.14 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.274 -0.891 . . . . 0.0 111.946 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 tp -63.76 -41.29 98.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.662 0.664 . . . . 0.0 111.069 173.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.31 -38.28 79.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.137 0.975 . . . . 0.0 112.042 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.32 -38.0 89.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.657 1.117 . . . . 0.0 112.761 172.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -72.9 -24.65 60.86 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.233 0.924 . . . . 0.0 113.185 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.51 -47.45 22.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.964 1.706 . . . . 0.0 111.943 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -21.89 63.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.811 2.045 . . . . 0.0 112.956 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -52.11 -34.95 46.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.6 1.56 . . . . 0.0 112.712 170.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.64 -35.84 65.34 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.874 0.869 . . . . 0.0 112.163 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -166.41 129.57 1.97 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.561 1.944 . . . . 0.0 110.436 171.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.86 137.74 43.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.246 1.019 . . . . 0.0 113.105 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 76.88 -43.36 0.44 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.362 3.065 . . . . 0.0 112.837 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -133.58 117.15 16.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.985 1.714 . . . . 0.0 110.079 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.2 t -101.33 104.62 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.332 1.853 . . . . 0.0 108.688 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -78.79 164.87 24.17 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.853 0.835 . . . . 0.0 110.616 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -32.44 68.94 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -170.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -61.2 -49.52 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 119.015 -0.516 . . . . 0.0 111.111 174.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -69.32 -34.34 74.51 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.217 1.007 . . . . 0.0 112.161 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.23 -46.42 89.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.982 0.513 . . . . 0.0 111.592 173.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -74.03 -31.05 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.222 -0.924 . . . . 0.0 111.565 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -58.37 -44.74 89.0 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.023 0.829 . . . . 0.0 110.732 171.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.11 -37.9 88.94 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.472 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.07 -29.01 69.86 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 174.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.91 84.4 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 118.633 0.651 . . . . 0.0 112.298 170.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.22 88.9 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 117.831 0.815 . . . . 0.0 112.712 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.02 -43.89 97.49 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.77 1.628 . . . . 0.0 111.138 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.58 75.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.693 0.797 . . . . 0.0 112.084 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.1 mtp -68.1 -18.5 64.67 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.84 -37.39 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.222 1.374 . . . . 0.0 110.138 169.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -78.97 51.66 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.652 1.581 . . . . 0.0 113.007 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -43.91 -38.58 3.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.08 2.152 . . . . 0.0 115.644 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.93 -29.82 70.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.26 0.937 . . . . 0.0 113.262 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.92 78.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.377 1.471 . . . . 0.0 112.397 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -67.22 -50.07 62.16 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.607 1.163 . . . . 0.0 111.111 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -84.5 -25.05 29.11 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 C-N-CA 126.056 1.789 . . . . 0.0 114.511 175.836 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.516 0.198 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.18 55.13 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.79 1.636 . . . . 0.0 114.52 -173.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -47.27 88.92 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.316 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -53.02 -38.95 80.79 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.932 3.088 . . . . 0.0 114.632 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -73.63 -42.76 61.01 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.455 1.025 . . . . 0.0 111.842 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.84 -40.16 87.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.354 1.462 . . . . 0.0 112.433 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -73.74 -18.8 60.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -50.05 10.85 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 111.62 172.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.2 pt -65.59 -29.24 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 O-C-N 121.019 -1.051 . . . . 0.0 111.738 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.754 1.169 . . . . 0.0 113.32 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.87 66.93 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.797 1.298 . . . . 0.0 109.744 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -40.26 84.63 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.419 1.088 . . . . 0.0 111.279 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.34 -49.22 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.692 0.797 . . . . 0.0 111.433 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.3 73.31 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.208 0.909 . . . . 0.0 113.635 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.11 -50.27 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.67 1.188 . . . . 0.0 111.448 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -70.17 -55.9 8.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.844 1.202 . . . . 0.0 113.201 -171.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -68.37 -22.25 64.66 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.25 -41.87 76.46 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.709 1.603 . . . . 0.0 112.418 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -80.97 -31.18 34.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.412 1.085 . . . . 0.0 112.652 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.8 m -58.91 -45.85 89.3 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.901 -1.125 . . . . 0.0 112.319 173.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.3 -13.06 61.93 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.092 0.854 . . . . 0.0 114.197 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -72.58 -32.52 66.07 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.65 1.225 . . . . 0.0 112.595 176.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -104.28 -8.31 19.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.684 1.194 . . . . 0.0 113.13 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.59 17.24 34.08 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.975 1.274 . . . . 0.0 114.25 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -79.97 146.32 32.12 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.611 1.164 . . . . 0.0 112.177 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -75.87 -39.61 56.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.157 0.983 . . . . 0.0 112.907 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -167.79 39.07 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.507 1.923 . . . . 0.0 112.979 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -140.73 154.84 46.49 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.541 1.936 . . . . 0.0 109.75 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.4 143.05 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.338 1.455 . . . . 0.0 110.053 169.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.9 p -77.02 159.85 29.58 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.385 -0.822 . . . . 0.0 109.928 169.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -55.49 -31.5 62.07 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.548 -1.345 . . . . 0.0 113.266 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 tmpt? -76.64 -42.73 40.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.511 1.124 . . . . 0.0 112.472 173.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -70.48 -31.91 69.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.911 -1.118 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.403 HD11 HD13 ' B' ' 60' ' ' LEU . 2.5 tm? -61.35 -51.77 67.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.612 1.565 . . . . 0.0 111.088 169.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.081 -1.012 . . . . 0.0 112.058 176.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.1 -44.55 95.38 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.995 0.816 . . . . 0.0 112.029 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.81 -49.03 76.59 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.011 0.823 . . . . 0.0 110.69 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.07 -50.28 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.07 0.85 . . . . 0.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -59.42 -39.72 84.41 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 112.344 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -85.86 -38.42 18.11 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -84.88 -47.82 9.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.328 0.967 . . . . 0.0 112.5 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.5 mt -87.38 55.9 3.72 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 130.584 3.554 . . . . 0.0 113.298 -169.18 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.37 -25.22 67.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.41 68.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.559 0.744 . . . . 0.0 112.336 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.73 -37.22 30.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.618 0.767 . . . . 0.0 110.664 170.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.2 mm -65.43 -38.99 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-O 117.825 -1.083 . . . . 0.0 112.025 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -66.55 -28.51 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 120.416 1.462 . . . . 0.0 112.413 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -74.45 -33.97 63.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.316 0.962 . . . . 0.0 112.478 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.78 -37.3 76.31 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.032 -1.043 . . . . 0.0 111.903 171.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -61.44 -40.48 94.62 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.367 1.067 . . . . 0.0 111.577 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.46 -34.13 77.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.5 1.12 . . . . 0.0 112.587 172.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.83 -17.96 52.01 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.149 -0.969 . . . . 0.0 113.395 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.403 HD13 HD11 ' B' ' 34' ' ' LEU . 3.0 mt -80.65 -42.69 21.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.091 1.356 . . . . 0.0 110.209 169.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.49 -30.09 69.49 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.186 1.794 . . . . 0.0 112.533 169.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.01 -29.78 70.51 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.799 1.24 . . . . 0.0 111.81 171.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -81.49 -28.17 34.2 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.71 123.16 3.64 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.452 1.501 . . . . 0.0 112.636 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.79 132.93 49.09 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.396 1.478 . . . . 0.0 114.276 -171.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 76.77 -37.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 129.563 3.145 . . . . 0.0 113.548 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -153.85 128.72 9.49 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.873 1.669 . . . . 0.0 109.994 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.33 118.14 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.085 1.754 . . . . 0.0 109.368 -170.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.35 151.66 30.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.849 1.26 . . . . 0.0 110.855 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -51.32 -39.98 58.09 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -62.02 -43.95 97.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 111.548 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -72.97 -29.53 63.14 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.765 1.226 . . . . 0.0 111.58 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -64.78 -46.14 83.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.987 0.915 . . . . 0.0 110.824 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.39 -35.61 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.203 -0.935 . . . . 0.0 111.912 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.8 m -58.94 -45.53 90.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.571 1.149 . . . . 0.0 110.409 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -64.02 -42.14 97.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.264 0.626 . . . . 0.0 112.26 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.12 -26.23 68.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.378 0.99 . . . . 0.0 112.453 173.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.16 94.49 Favored Glycine 0 N--CA 1.468 0.827 0 C-N-CA 124.324 0.964 . . . . 0.0 112.316 170.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.2 95.1 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 117.943 0.872 . . . . 0.0 112.021 170.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.4 -44.65 92.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.214 1.006 . . . . 0.0 111.697 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.2 96.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.185 0.994 . . . . 0.0 111.754 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.2 ttp -66.74 -31.7 72.52 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.16 -21.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.873 0.869 . . . . 0.0 112.446 171.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -75.87 43.63 0.28 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.259 0.936 . . . . 0.0 112.602 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -44.94 -26.81 0.46 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.933 2.493 . . . . 0.0 116.503 -173.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.99 -32.7 68.14 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 121.428 1.922 . . . . 0.0 112.896 173.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.3 -16.94 62.48 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.302 1.441 . . . . 0.0 113.607 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 73.0 mt -101.57 -10.86 19.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.156 2.182 . . . . 0.0 112.648 176.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt . . . . . 0 N--CA 1.473 0.683 0 C-N-CA 125.117 1.367 . . . . 0.0 112.285 174.828 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.199 0 CA-C-O 119.126 -0.819 . . . . 0.0 115.123 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.99 -33.56 62.66 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.069 1.348 . . . . 0.0 112.601 174.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.32 4.54 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 125.275 1.43 . . . . 0.0 113.734 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -76.18 -13.29 60.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.515 1.052 . . . . 0.0 113.838 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.45 -30.81 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.508 1.523 . . . . 0.0 109.609 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.73 -33.62 60.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.048 2.139 . . . . 0.0 111.273 171.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.95 -34.49 55.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.83 1.652 . . . . 0.0 112.363 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -52.72 -33.7 49.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.539 1.136 . . . . 0.0 112.433 175.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.98 -35.66 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.26 1.824 . . . . 0.0 111.877 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.84 -40.18 83.45 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.941 -1.099 . . . . 0.0 112.156 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -76.06 -1.24 24.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -92.01 -47.18 7.42 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.78 0.832 . . . . 0.0 110.786 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 67.62 -169.98 36.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.166 1.365 . . . . 0.0 114.376 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -165.33 149.73 8.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.822 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -83.12 -27.14 30.37 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.21 1.404 . . . . 0.0 114.376 -175.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.65 -21.52 19.98 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.309 0.959 . . . . 0.0 113.532 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 44.7 ttm -50.25 -62.95 1.28 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.61 1.164 . . . . 0.0 110.775 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -57.39 -32.52 66.9 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.671 1.189 . . . . 0.0 113.753 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -71.76 -38.31 70.39 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.769 0.827 . . . . 0.0 111.676 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . 0.471 HG23 ' HE2' ' C' ' 213' ' ' LYS . 51.2 m -82.34 -34.48 28.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.235 1.414 . . . . 0.0 112.829 -178.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.68 -47.54 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.0 0.818 . . . . 0.0 109.101 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.43 -48.95 78.84 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . 0.471 ' HE2' HG23 ' C' ' 210' ' ' THR . 11.1 pttt -63.04 -39.31 94.37 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.752 -1.218 . . . . 0.0 112.227 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.63 -31.07 71.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.685 1.194 . . . . 0.0 113.535 174.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 6.4 m95 . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 123.627 0.771 . . . . 0.0 111.527 169.592 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 N-CA-C 115.465 0.946 . . . . 0.0 115.465 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.49 -48.4 77.22 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 1.141 . . . . 0.0 111.914 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -62.47 -29.15 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.939 1.295 . . . . 0.0 113.105 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -71.63 -18.12 62.22 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.18 -44.3 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.125 1.37 . . . . 0.0 110.01 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.52 -32.89 74.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.021 1.328 . . . . 0.0 112.646 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -64.41 -25.77 68.16 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.177 -0.952 . . . . 0.0 112.958 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -67.35 -19.08 65.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.71 0.804 . . . . 0.0 112.92 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.0 mt -86.77 -46.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.631 1.172 . . . . 0.0 110.073 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.94 -38.26 72.67 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.77 -1.54 9.51 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.54 -19.16 60.98 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.368 1.067 . . . . 0.0 112.962 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 123.39 168.55 13.06 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.312 1.91 . . . . 0.0 113.511 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -160.42 131.75 5.78 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.43 1.492 . . . . 0.0 111.628 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -154.66 -38.48 0.09 Allowed 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -71.92 -25.79 62.04 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.537 1.517 . . . . 0.0 113.662 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 13.7 mmt -55.31 -43.77 75.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.118 0.961 . . . . 0.0 109.663 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -75.28 -17.85 60.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.729 1.612 . . . . 0.0 112.108 -173.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -83.05 -45.24 14.26 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.799 0.84 . . . . 0.0 110.685 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 62.0 m -65.72 -51.56 58.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.908 1.683 . . . . 0.0 111.722 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.11 -35.95 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.337 1.055 . . . . 0.0 110.662 -172.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -57.24 -54.41 47.1 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.632 0.651 . . . . 0.0 111.254 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -63.33 -40.37 97.13 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.203 0.91 . . . . 0.0 111.929 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.79 -30.77 71.83 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.2 m95 . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 123.587 0.755 . . . . 0.0 112.284 169.892 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -54.87 -46.93 99.42 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.14 -29.63 39.31 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.948 1.766 . . . . 0.0 113.417 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.8 -43.96 43.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.12 1.327 . . . . 0.0 111.279 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.77 -35.35 80.32 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.477 1.111 . . . . 0.0 111.954 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.36 -33.07 69.23 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 119.158 -0.448 . . . . 0.0 112.159 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.79 59.59 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.87 1.214 . . . . 0.0 112.597 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.5 pt -64.36 -33.65 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.109 0.868 . . . . 0.0 111.091 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -27.15 72.66 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.744 1.164 . . . . 0.0 113.468 173.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -52.82 56.59 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.965 1.306 . . . . 0.0 109.994 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.03 -41.25 91.82 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.146 0.979 . . . . 0.0 111.891 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.78 -42.68 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.268 0.486 . . . . 0.0 110.274 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.03 -37.57 73.57 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.35 0.976 . . . . 0.0 113.116 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mt -64.78 -39.67 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.679 0.792 . . . . 0.0 111.522 172.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.01 -58.75 3.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.601 1.16 . . . . 0.0 113.219 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.23 -23.21 64.78 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -66.48 -28.5 68.63 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -81.1 -38.88 26.55 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.251 1.02 . . . . 0.0 113.407 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -58.44 -14.61 8.14 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 -172.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.54 -8.23 86.42 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.778 -1.012 . . . . 0.0 114.835 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt . . . . . 0 CA--C 1.543 0.707 0 CA-C-N 119.488 1.644 . . . . 0.0 112.387 177.355 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -140.58 21.19 2.36 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 t -151.93 143.65 23.63 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.21 -0.931 . . . . 0.0 113.038 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.61 151.67 24.06 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.453 1.901 . . . . 0.0 110.756 172.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -79.64 159.1 26.88 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 109.21 167.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -61.73 -35.1 77.1 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 119.825 -1.797 . . . . 0.0 112.851 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.78 -38.71 64.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.958 1.303 . . . . 0.0 112.616 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.46 -40.85 96.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.705 1.202 . . . . 0.0 110.946 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.08 -42.87 99.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.222 1.409 . . . . 0.0 110.495 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -58.15 -34.2 70.01 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.382 -1.449 . . . . 0.0 111.73 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -72.22 -37.93 69.1 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.379 1.071 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.0 -53.53 54.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.985 0.914 . . . . 0.0 109.625 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -58.71 -48.34 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.427 0.691 . . . . 0.0 112.002 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.91 -31.68 72.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.566 -0.73 . . . . 0.0 112.371 -175.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.9 -45.9 11.08 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.446 1.021 . . . . 0.0 113.273 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.56 -47.96 10.04 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.084 0.553 . . . . 0.0 111.746 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -84.62 -49.49 8.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.162 -0.923 . . . . 0.0 109.564 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.26 0 C-N-CA 130.844 3.658 . . . . 0.0 112.509 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.78 -33.01 72.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.784 -1.197 . . . . 0.0 112.579 -172.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.27 68.16 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.398 1.479 . . . . 0.0 112.979 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -80.6 -38.12 29.95 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.383 1.073 . . . . 0.0 110.883 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.84 -40.07 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.236 -0.915 . . . . 0.0 112.006 176.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HA ' ' HG2' ' A' ' 57' ' ' MET . 30.0 m -66.12 -28.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.031 0.832 . . . . 0.0 112.664 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.53 -38.01 59.66 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.27 0.486 . . . . 0.0 111.84 169.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.43 -47.22 84.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.337 -0.852 . . . . 0.0 111.361 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 14.7 ptt? -67.93 -30.05 69.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.541 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.37 -33.13 71.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.421 1.088 . . . . 0.0 112.588 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -72.39 -26.52 61.91 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.254 1.022 . . . . 0.0 112.355 172.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.83 -42.3 24.6 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.298 1.439 . . . . 0.0 112.225 170.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.91 -4.4 12.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.175 2.19 . . . . 0.0 113.022 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -57.06 -19.47 19.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.245 1.418 . . . . 0.0 113.016 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.39 -45.04 84.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.196 0.999 . . . . 0.0 113.055 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -174.59 141.28 0.65 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.616 2.766 . . . . 0.0 109.655 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -52.92 -0.14 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.996 2.918 . . . . 0.0 118.365 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -125.98 -10.48 6.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.892 1.677 . . . . 0.0 114.025 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -160.18 159.35 31.51 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -169.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.9 t -116.88 100.3 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 127.291 2.236 . . . . 0.0 107.618 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.82 147.29 35.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.13 0.572 . . . . 0.0 111.475 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -53.06 -42.78 66.14 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.653 1.181 . . . . 0.0 114.008 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.16 -39.07 93.61 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.67 0.668 . . . . 0.0 111.723 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.97 -39.26 72.63 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.601 0.76 . . . . 0.0 111.223 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -58.66 -44.58 90.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.352 1.061 . . . . 0.0 112.049 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.3 mm -65.59 -44.54 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.106 0.866 . . . . 0.0 111.19 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.9 m -57.97 -43.81 86.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.152 0.981 . . . . 0.0 111.305 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -67.76 -36.5 80.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.05 1.74 . . . . 0.0 112.686 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.97 -27.36 68.09 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.907 0.776 . . . . 0.0 111.495 169.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.23 -33.4 68.92 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.629 1.109 . . . . 0.0 112.205 169.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.79 76.32 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.104 0.952 . . . . 0.0 111.354 171.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.95 -47.19 78.05 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.148 0.886 . . . . 0.0 110.884 170.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.63 80.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.348 1.059 . . . . 0.0 113.433 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -70.6 -39.03 74.03 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.811 1.244 . . . . 0.0 112.403 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.29 -31.3 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.918 1.287 . . . . 0.0 111.044 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -76.26 45.35 0.37 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.005 1.722 . . . . 0.0 110.799 169.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.49 -20.62 8.06 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 117.726 2.491 . . . . 0.0 117.726 -168.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.73 -25.86 68.4 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.827 2.103 . . . . 0.0 112.065 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.03 -23.07 66.48 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.175 0.99 . . . . 0.0 113.506 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -97.21 1.37 49.67 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.203 1.801 . . . . 0.0 112.037 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -100.82 17.43 22.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.526 1.53 . . . . 0.0 113.041 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 C-N-CA 125.965 1.745 . . . . 0.0 114.613 177.772 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.13 46.85 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -50.25 -41.75 68.23 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -171.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.37 -33.05 71.4 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.332 2.688 . . . . 0.0 113.143 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.4 tp -76.6 -42.99 40.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.36 0.527 . . . . 0.0 110.507 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -59.28 -40.27 85.56 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.949 . . . . 0.0 112.323 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -72.97 -24.31 60.76 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.52 -46.13 17.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.335 0.97 . . . . 0.0 112.189 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -62.33 -34.91 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.524 1.056 . . . . 0.0 110.348 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -23.97 68.67 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 125.39 1.471 . . . . 0.0 114.112 172.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -52.07 29.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.353 1.077 . . . . 0.0 110.224 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.81 -41.92 87.93 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.457 1.103 . . . . 0.0 111.585 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.33 -42.65 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.666 0.667 . . . . 0.0 110.648 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.86 -45.66 81.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.96 0.791 . . . . 0.0 113.028 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -60.41 -45.6 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.194 0.998 . . . . 0.0 111.261 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.97 -52.17 38.98 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.66 0.784 . . . . 0.0 112.373 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -72.04 -26.34 62.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.72 -38.79 67.51 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.791 0.836 . . . . 0.0 111.045 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -83.58 -43.79 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.5 p -67.59 -37.1 82.09 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.739 1.608 . . . . 0.0 112.687 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.7 0.66 89.25 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.839 1.209 . . . . 0.0 114.151 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -32.47 74.19 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.418 1.609 . . . . 0.0 113.435 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.81 4.13 42.62 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.696 1.198 . . . . 0.0 112.947 172.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 15.41 76.96 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.696 1.141 . . . . 0.0 114.51 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.38 -159.4 0.48 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -76.23 -175.54 3.22 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.668 1.987 . . . . 0.0 112.922 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -76.55 49.57 0.62 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.084 1.754 . . . . 0.0 112.454 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -137.82 153.75 49.6 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.976 1.71 . . . . 0.0 111.588 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -126.4 142.09 51.66 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.785 1.234 . . . . 0.0 110.733 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.1 p -79.27 159.67 27.16 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.374 -0.829 . . . . 0.0 109.171 168.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.27 -27.46 67.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.403 -1.435 . . . . 0.0 113.103 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -76.55 -42.12 44.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.151 1.38 . . . . 0.0 113.076 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.13 -32.87 72.55 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.92 -1.112 . . . . 0.0 111.53 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.5 tm? -62.41 -44.73 95.73 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.469 1.108 . . . . 0.0 109.929 169.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -58.48 -35.97 73.03 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.191 -0.943 . . . . 0.0 111.845 173.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.71 -43.51 88.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.726 0.81 . . . . 0.0 111.95 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.6 -52.53 61.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.298 1.039 . . . . 0.0 110.432 169.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -65.38 -46.4 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 118.606 -0.711 . . . . 0.0 112.451 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.18 -12.15 61.05 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.886 1.221 . . . . 0.0 112.899 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -85.56 -53.53 5.12 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.778 1.172 . . . . 0.0 111.2 169.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -78.77 -48.78 14.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.04 0.536 . . . . 0.0 112.423 -173.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.3 34.73 2.1 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.222 1.809 . . . . 0.0 110.204 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.469 0.521 0 C-N-CA 127.037 2.135 . . . . 0.0 112.521 -174.71 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -21.71 66.45 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.204 -1.56 . . . . 0.0 113.047 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.22 -30.67 71.26 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.842 1.257 . . . . 0.0 112.351 169.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.72 -29.83 32.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.229 1.012 . . . . 0.0 110.873 171.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.5 mm -70.41 -39.0 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.103 -0.998 . . . . 0.0 111.943 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.98 -23.57 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.303 0.956 . . . . 0.0 112.359 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -78.39 -40.47 36.0 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.189 169.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.45 -46.31 80.41 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.715 1.143 . . . . 0.0 111.983 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -25.69 65.82 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.207 0.912 . . . . 0.0 112.47 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.87 -31.78 51.56 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.75 1.22 . . . . 0.0 113.03 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.36 -29.45 66.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.66 1.184 . . . . 0.0 111.746 170.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.21 -45.94 62.27 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.573 1.149 . . . . 0.0 110.537 168.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.89 -15.78 45.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.0 1.72 . . . . 0.0 113.741 174.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -59.35 -29.38 67.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 112.306 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -77.66 -36.8 51.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.038 0.935 . . . . 0.0 112.87 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -159.04 129.77 6.02 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.283 1.833 . . . . 0.0 110.663 169.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.58 136.88 39.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.467 1.107 . . . . 0.0 113.455 -169.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 76.32 -36.6 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 129.813 3.245 . . . . 0.0 111.996 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -139.05 126.25 21.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.605 1.962 . . . . 0.0 109.731 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 52.2 t -105.86 128.53 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.835 2.054 . . . . 0.0 108.779 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.78 155.17 24.37 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.932 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -44.55 -46.09 9.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.616 1.566 . . . . 0.0 114.866 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -62.71 -38.43 90.39 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.127 -0.983 . . . . 0.0 111.68 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -75.67 -33.11 60.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.502 1.121 . . . . 0.0 111.363 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -63.09 -44.41 95.78 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.928 0.891 . . . . 0.0 111.63 171.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.05 -43.13 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.068 -1.02 . . . . 0.0 110.676 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.5 m -57.31 -45.41 84.25 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.074 0.949 . . . . 0.0 110.983 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.36 -36.41 79.18 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.654 0.782 . . . . 0.0 112.65 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.29 -26.26 68.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.058 1.299 . . . . 0.0 111.58 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.1 -38.09 83.11 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 118.884 0.765 . . . . 0.0 112.309 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.26 86.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.446 1.123 . . . . 0.0 111.769 170.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.49 -42.29 91.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.091 1.356 . . . . 0.0 111.441 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.43 -31.95 69.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.692 1.197 . . . . 0.0 112.902 172.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 84.4 mtp -74.43 -24.8 59.13 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 28.3 mm -66.55 -33.04 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 120.185 1.357 . . . . 0.0 111.527 169.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -72.62 55.1 0.36 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.908 1.283 . . . . 0.0 112.719 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -47.6 -38.79 15.26 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.337 2.255 . . . . 0.0 115.008 -170.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.74 -30.81 71.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.899 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.05 -24.59 66.0 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.97 -1.081 . . . . 0.0 112.313 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.5 mt -100.53 15.4 28.11 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.272 2.229 . . . . 0.0 112.164 172.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 125.584 1.554 . . . . 0.0 111.029 169.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 113.593 0.197 . . . . 0.0 113.593 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.49 -36.19 61.42 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.773 1.229 . . . . 0.0 113.246 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -57.4 -31.89 66.28 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.688 1.195 . . . . 0.0 112.517 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -78.7 -16.43 57.27 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 48.4 t -88.13 -37.49 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 125.123 1.369 . . . . 0.0 109.497 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.17 -28.48 65.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.589 1.956 . . . . 0.0 112.406 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -54.07 -34.07 59.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.927 1.291 . . . . 0.0 112.428 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -21.91 66.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.426 1.091 . . . . 0.0 112.803 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.65 -43.93 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.243 1.417 . . . . 0.0 110.112 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -52.42 -43.53 64.87 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.064 0.946 . . . . 0.0 112.545 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.65 -5.09 46.43 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -86.71 -22.2 26.18 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.156 0.982 . . . . 0.0 112.717 175.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 149.73 160.06 9.01 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.899 1.237 . . . . 0.0 114.742 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -159.49 37.17 0.2 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.665 1.986 . . . . 0.0 111.072 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.88 -30.52 69.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.21 1.404 . . . . 0.0 114.671 -170.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -82.28 -15.13 54.09 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.72 -47.04 76.69 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.977 1.262 . . . . 0.0 109.593 169.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -54.46 -35.53 63.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.954 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -80.85 -47.11 14.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.727 1.611 . . . . 0.0 112.713 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 9.9 m -83.26 -35.88 24.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.664 0.786 . . . . 0.0 112.729 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.63 -38.18 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.727 0.694 . . . . 0.0 110.593 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.05 -54.63 38.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.491 0.716 . . . . 0.0 111.403 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.06 -47.65 77.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.919 -1.113 . . . . 0.0 113.028 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.59 71.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 43.1 t90 . . . . . 0 CA--C 1.539 0.551 0 CA-C-N 118.735 0.698 . . . . 0.0 111.579 170.051 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.899 0 CA-C-O 120.069 -0.295 . . . . 0.0 113.408 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.72 -33.91 70.75 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.551 1.141 . . . . 0.0 113.06 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.7 ptp -57.19 -30.0 64.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.735 1.214 . . . . 0.0 113.856 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.12 -19.65 64.85 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.043 -1.035 . . . . 0.0 113.22 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.16 -45.61 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.226 1.411 . . . . 0.0 110.036 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.97 -30.74 67.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.769 1.227 . . . . 0.0 113.248 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -59.01 -34.57 72.03 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.97 0.804 . . . . 0.0 111.472 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -63.29 -21.69 66.41 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 30.5 mm -81.65 -32.35 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.72 1.208 . . . . 0.0 111.303 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -74.7 -34.68 62.66 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.327 -0.858 . . . . 0.0 111.352 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -73.15 -1.58 18.12 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.753 1.621 . . . . 0.0 113.855 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.29 -13.35 55.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.967 1.307 . . . . 0.0 112.688 170.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 122.51 153.99 8.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.254 1.883 . . . . 0.0 113.273 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -166.18 139.89 4.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.952 1.701 . . . . 0.0 111.057 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -143.19 -55.53 0.4 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.321 1.049 . . . . 0.0 112.711 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.53 -25.83 68.43 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 33.5 tpp -58.3 -51.88 67.94 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.17 0.588 . . . . 0.0 110.981 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . 0.294 0.0 OUTLIER -69.87 -18.41 63.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.38 -36.04 63.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.112 1.323 . . . . 0.0 112.015 169.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.4 m -73.18 -52.33 14.53 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.812 1.645 . . . . 0.0 111.091 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.41 -39.42 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 122.818 0.447 . . . . 0.0 111.752 -173.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -58.16 -57.4 13.03 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.402 -0.811 . . . . 0.0 111.457 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.99 -37.43 82.43 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.41 -0.806 . . . . 0.0 112.621 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.94 -20.19 61.79 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 4.2 t90 . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 124.141 0.976 . . . . 0.0 111.571 169.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -39.02 -47.92 3.88 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -169.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.35 -39.63 21.86 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.418 2.078 . . . . 0.0 113.898 -174.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -81.66 -38.52 25.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.854 0.461 . . . . 0.0 111.634 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.24 -37.36 74.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.749 1.22 . . . . 0.0 112.994 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -71.41 -30.49 66.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.673 -0.642 . . . . 0.0 112.71 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.33 46.64 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.471 1.032 . . . . 0.0 112.465 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 pt -64.54 -36.02 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.474 1.034 . . . . 0.0 110.85 170.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -28.89 64.64 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.002 1.287 . . . . 0.0 113.521 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -55.64 16.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.135 0.974 . . . . 0.0 110.598 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.46 -42.18 82.05 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.816 1.246 . . . . 0.0 111.634 176.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.535 HD11 ' HB1' ' B' ' 81' ' ' ALA . 57.0 mt -62.89 -45.54 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.303 178.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.67 -36.03 62.18 Favored Glycine 0 N--CA 1.469 0.843 0 C-N-CA 123.457 0.551 . . . . 0.0 113.097 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 mt -63.52 -43.24 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.792 0.837 . . . . 0.0 111.048 172.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -71.92 -55.59 7.21 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.711 0.804 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -67.34 -24.28 65.7 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -70.39 -28.91 65.45 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.369 -0.832 . . . . 0.0 112.88 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -81.96 -22.57 36.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -61.01 -17.01 49.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 0.69 70.87 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.633 1.111 . . . . 0.0 115.11 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt . . . . . 0 N--CA 1.472 0.651 0 CA-C-N 119.639 1.719 . . . . 0.0 113.113 -178.565 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -127.56 22.45 6.42 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.29 175.26 7.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.575 1.55 . . . . 0.0 111.322 175.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 mt -134.67 130.87 37.0 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.533 1.133 . . . . 0.0 109.923 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.2 t -76.8 152.34 35.58 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.687 -0.633 . . . . 0.0 109.972 169.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.49 -32.36 68.72 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 119.663 -1.898 . . . . 0.0 113.592 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -67.49 -46.1 73.93 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.533 1.533 . . . . 0.0 112.329 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.11 -35.93 82.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.645 1.978 . . . . 0.0 111.291 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.86 -42.88 84.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.703 1.601 . . . . 0.0 110.757 169.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -59.39 -39.53 83.67 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.544 -1.348 . . . . 0.0 111.89 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.52 -43.83 98.16 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.422 0.689 . . . . 0.0 111.985 173.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.24 -55.8 27.22 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.982 0.81 . . . . 0.0 110.57 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.96 -46.1 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.891 0.769 . . . . 0.0 111.608 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -73.73 -20.95 60.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.592 1.087 . . . . 0.0 113.871 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -87.9 -45.35 10.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.333 1.424 . . . . 0.0 114.415 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.04 -48.35 11.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.738 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -83.27 -64.45 1.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.474 0.727 0 C-N-CA 130.561 3.544 . . . . 0.0 112.404 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.73 -26.64 64.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 120.588 1.54 . . . . 0.0 112.133 169.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.63 70.1 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.029 0.932 . . . . 0.0 112.602 170.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.93 -33.12 30.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.396 1.078 . . . . 0.0 111.059 170.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.17 -42.14 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 119.151 0.887 . . . . 0.0 112.109 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.87 -24.84 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.38 0.991 . . . . 0.0 112.116 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -79.08 -35.23 42.77 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.196 0.907 . . . . 0.0 111.831 169.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.04 -39.39 93.28 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.583 1.083 . . . . 0.0 112.363 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -27.59 68.29 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.602 1.092 . . . . 0.0 112.208 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.06 -25.13 47.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -74.26 -37.91 63.6 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.706 1.203 . . . . 0.0 111.825 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.26 -38.1 87.99 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.263 1.025 . . . . 0.0 110.722 169.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -80.36 -6.76 58.51 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.17 66.75 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.638 -1.289 . . . . 0.0 112.197 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.2 -15.04 59.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 112.664 170.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -118.82 -143.72 0.36 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.539 2.336 . . . . 0.0 111.893 -169.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -158.68 1.16 0.09 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 175.01 -41.98 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.098 2.559 . . . . 0.0 111.121 -174.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -147.24 147.89 30.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.039 1.336 . . . . 0.0 112.131 -169.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.85 128.7 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.01 2.124 . . . . 0.0 110.911 -172.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -79.3 156.93 27.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.587 1.155 . . . . 0.0 111.367 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -48.38 -40.92 27.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.44 -38.22 84.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.17 -0.956 . . . . 0.0 111.846 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.92 -33.63 64.03 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.511 0.724 . . . . 0.0 111.993 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.1 -40.15 92.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.132 0.973 . . . . 0.0 111.49 170.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mm -63.68 -48.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.643 0.777 . . . . 0.0 111.348 171.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.9 m -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.326 0.966 . . . . 0.0 111.848 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -67.37 -39.6 85.7 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.033 0.933 . . . . 0.0 112.317 175.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.0 mt -65.94 -27.51 68.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.61 1.096 . . . . 0.0 111.605 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.77 85.09 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.913 0.768 . . . . 0.0 112.164 169.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.77 50.59 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.189 0.994 . . . . 0.0 110.962 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -53.64 -44.25 69.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.95 1.3 . . . . 0.0 111.418 178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -60.18 -32.18 70.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.134 1.373 . . . . 0.0 113.093 174.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.4 ttt -79.71 -32.61 41.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.125 0.97 . . . . 0.0 112.853 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.24 -31.67 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.306 0.957 . . . . 0.0 110.452 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -71.56 45.84 0.11 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.697 1.999 . . . . 0.0 111.998 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -53.66 -23.6 11.81 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.904 2.882 . . . . 0.0 117.086 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.29 -23.44 62.86 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.892 1.678 . . . . 0.0 111.933 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.36 69.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.793 0.837 . . . . 0.0 112.592 170.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.64 -38.81 47.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.46 1.104 . . . . 0.0 110.973 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -63.57 -50.44 69.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.213 1.405 . . . . 0.0 111.927 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 C-N-CA 125.253 1.406 . . . . 0.0 113.62 179.037 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.5 tpp . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.27 -21.17 8.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -169.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.36 -48.66 34.46 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -66.35 -37.51 23.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 123.395 2.73 . . . . 0.0 113.448 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 tp -73.96 -42.5 60.41 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.956 0.798 . . . . 0.0 110.676 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.24 -34.64 78.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.79 1.236 . . . . 0.0 112.623 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -74.93 -27.99 60.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 169.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.88 -46.95 27.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.574 1.079 . . . . 0.0 112.2 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.7 pt -63.62 -31.92 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.691 0.678 . . . . 0.0 110.921 170.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.6 -24.65 73.96 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 118.915 -0.936 . . . . 0.0 114.146 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -50.69 53.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.925 1.362 . . . . 0.0 109.939 174.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.95 -41.72 92.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.5 0.72 . . . . 0.0 112.105 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.526 HD11 ' HB1' ' A' ' 81' ' ' ALA . 79.0 mt -67.54 -42.28 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.589 0.632 . . . . 0.0 110.617 175.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.2 -43.18 95.81 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-N 118.595 0.634 . . . . 0.0 112.835 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -59.67 -40.95 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.416 1.086 . . . . 0.0 111.472 173.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -68.25 -47.57 67.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.206 0.602 . . . . 0.0 111.304 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -69.71 -23.0 63.35 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -54.44 -53.5 53.31 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.416 1.007 . . . . 0.0 110.139 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -83.13 -40.43 19.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.788 1.635 . . . . 0.0 114.207 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.9 p -69.42 -37.25 77.36 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.868 -1.145 . . . . 0.0 112.085 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.23 79.21 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.433 1.016 . . . . 0.0 113.86 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -67.34 -35.11 78.72 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.512 1.156 . . . . 0.0 111.914 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.64 -25.69 23.41 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.253 1.021 . . . . 0.0 112.946 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.3 14.13 64.58 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.258 0.932 . . . . 0.0 113.198 -170.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.76 -31.75 57.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.377 1.471 . . . . 0.0 111.952 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttp 68.16 -65.71 0.25 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.107 2.563 . . . . 0.0 115.177 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -108.84 16.43 22.74 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.993 1.317 . . . . 0.0 113.799 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -151.52 164.12 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.365 1.866 . . . . 0.0 111.203 175.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -131.17 138.51 49.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.718 1.607 . . . . 0.0 110.945 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.6 m -80.42 152.96 28.55 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 168.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -53.22 -40.08 64.23 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.537 -1.352 . . . . 0.0 113.69 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -63.5 -34.42 77.74 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -76.67 -36.49 57.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.136 0.974 . . . . 0.0 111.259 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.23 -38.77 90.48 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.926 0.89 . . . . 0.0 109.8 169.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -60.76 -43.59 97.82 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.587 -1.321 . . . . 0.0 112.382 173.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.86 -42.53 98.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.797 0.839 . . . . 0.0 111.494 174.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.96 -55.47 32.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.193 0.997 . . . . 0.0 110.758 172.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.33 -49.51 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.845 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.77 -27.54 68.36 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.004 0.82 . . . . 0.0 113.073 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.54 -43.54 12.63 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -85.5 -29.94 23.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.227 0.921 . . . . 0.0 113.142 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.62 79.95 1.27 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.35 1.46 . . . . 0.0 107.941 170.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.466 0.366 0 C-N-CA 125.742 1.617 . . . . 0.0 112.449 -171.273 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 121.04 0.448 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.91 -26.12 68.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.967 -1.083 . . . . 0.0 112.561 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -26.81 68.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.704 1.201 . . . . 0.0 113.389 169.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -81.66 -37.76 26.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.035 0.934 . . . . 0.0 110.319 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.9 mm -60.05 -44.02 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.414 -0.804 . . . . 0.0 111.788 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -65.09 -32.01 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.059 0.845 . . . . 0.0 112.739 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -74.35 -29.83 61.75 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.781 0.719 . . . . 0.0 111.902 171.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.76 -36.21 81.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.949 -1.094 . . . . 0.0 112.103 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 29.4 mtm -59.06 -42.71 90.97 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.728 1.149 . . . . 0.0 111.397 171.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.35 -27.9 66.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.823 1.249 . . . . 0.0 112.317 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -81.01 -27.45 35.84 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.69 -44.86 69.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.832 0.853 . . . . 0.0 110.124 169.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.89 -5.51 51.23 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.035 1.734 . . . . 0.0 113.857 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -56.58 -28.55 60.5 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.889 -1.132 . . . . 0.0 111.696 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -73.98 -9.68 58.88 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.289 1.436 . . . . 0.0 113.428 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -144.8 -123.53 0.08 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.111 1.764 . . . . 0.0 111.398 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -171.96 1.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -175.51 -49.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 111.286 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.43 145.73 35.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 112.113 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -96.41 96.4 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.066 1.746 . . . . 0.0 106.699 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.03 171.63 14.95 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.916 0.886 . . . . 0.0 110.95 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.15 -56.88 10.37 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.11 -31.5 71.14 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.352 1.433 . . . . 0.0 112.296 -169.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -73.78 -29.01 61.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.11 0.964 . . . . 0.0 112.199 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -65.79 -42.86 90.24 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.474 1.034 . . . . 0.0 110.977 169.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mm -61.89 -47.75 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.274 0.63 . . . . 0.0 110.685 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.4 m -60.91 -41.95 97.12 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.77 1.228 . . . . 0.0 111.473 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.83 -40.17 94.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.763 0.825 . . . . 0.0 112.109 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.18 -22.09 66.64 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.862 0.756 . . . . 0.0 112.195 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.81 54.8 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.437 1.017 . . . . 0.0 112.466 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.91 99.9 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.282 1.041 . . . . 0.0 111.828 172.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.54 -45.38 85.15 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.78 1.232 . . . . 0.0 111.124 173.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -63.34 -37.94 89.23 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.294 1.438 . . . . 0.0 113.545 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 98.1 mtp -68.06 -38.32 82.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.114 0.87 . . . . 0.0 112.747 172.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.5 mt -67.24 -26.66 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.59 0.756 . . . . 0.0 111.055 174.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -75.61 49.26 0.49 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.329 1.451 . . . . 0.0 111.365 169.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -45.14 -31.22 1.34 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.215 2.606 . . . . 0.0 116.875 -169.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.26 -29.18 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.467 1.485 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.31 -22.64 64.7 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.758 -1.214 . . . . 0.0 112.849 173.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.74 21.32 9.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.319 1.848 . . . . 0.0 111.541 173.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt . . . . . 0 CA--C 1.545 0.777 0 C-N-CA 125.158 1.383 . . . . 0.0 112.364 -177.485 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.946 0 CA-C-O 121.034 0.241 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -52.92 -33.46 50.73 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.089 1.356 . . . . 0.0 113.017 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -55.36 -29.24 58.01 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.882 1.273 . . . . 0.0 112.504 -178.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.17 -17.02 63.16 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.64 -38.59 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 125.128 1.371 . . . . 0.0 109.268 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.23 -32.75 74.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.523 1.529 . . . . 0.0 112.004 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.69 -33.54 68.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.788 1.235 . . . . 0.0 112.729 169.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.99 -23.49 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.976 -1.078 . . . . 0.0 112.376 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.54 -37.8 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.956 1.303 . . . . 0.0 110.69 175.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.58 -40.36 87.16 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.464 0.706 . . . . 0.0 111.76 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.31 -0.91 15.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.463 1.505 . . . . 0.0 113.815 173.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.15 2.59 16.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.072 1.749 . . . . 0.0 112.901 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.27 -166.84 37.11 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.233 1.397 . . . . 0.0 113.776 -175.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -139.13 159.76 41.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.747 1.619 . . . . 0.0 111.17 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.51 -4.6 40.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.7 -19.42 58.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.694 1.198 . . . . 0.0 113.91 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 26.0 ptp -58.12 -47.59 82.81 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.146 0.884 . . . . 0.0 110.299 170.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -64.7 -34.7 78.92 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.775 1.63 . . . . 0.0 111.013 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.11 -24.21 65.0 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.606 0.762 . . . . 0.0 112.302 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 29.8 m -94.2 -39.3 10.62 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.606 1.162 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.6 mm -55.48 -43.82 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.571 0.748 . . . . 0.0 110.402 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -55.22 -55.32 32.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.509 0.724 . . . . 0.0 112.11 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -58.3 -43.66 88.18 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.31 -0.869 . . . . 0.0 112.738 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.3 79.25 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.624 0.647 . . . . 0.0 112.66 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.646 0 C-N-CA 123.644 0.778 . . . . 0.0 111.795 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.153 0 CA-C-O 121.753 0.64 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.16 -30.64 70.52 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.525 1.13 . . . . 0.0 113.371 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -51.5 -33.91 33.55 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.181 1.793 . . . . 0.0 112.827 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.14 -8.64 57.47 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -96.64 -39.02 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.663 1.585 . . . . 0.0 109.072 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.2 -41.23 92.53 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.208 1.803 . . . . 0.0 110.952 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -51.18 -42.51 60.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.595 1.558 . . . . 0.0 112.727 172.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -58.49 -27.55 64.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.765 0.826 . . . . 0.0 113.105 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.5 mm -90.94 -34.96 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.272 1.429 . . . . 0.0 110.468 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -63.05 -38.46 91.27 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.098 -1.002 . . . . 0.0 112.121 172.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.86 -0.29 20.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.263 1.025 . . . . 0.0 113.731 176.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -108.09 -45.94 3.85 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.969 1.308 . . . . 0.0 112.399 170.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -123.69 120.82 4.28 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.646 1.593 . . . . 0.0 113.582 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -175.96 117.95 0.14 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.892 2.477 . . . . 0.0 109.521 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -163.56 -53.72 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.816 0.847 . . . . 0.0 113.116 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.77 -26.04 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.312 -0.867 . . . . 0.0 112.177 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.4 tpp -51.57 -56.06 15.63 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 124.599 1.16 . . . . 0.0 109.594 168.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.5 -35.12 71.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.38 1.072 . . . . 0.0 112.469 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -68.98 -42.09 77.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.62 0.645 . . . . 0.0 111.807 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 22.2 m -73.88 -38.43 64.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.361 1.064 . . . . 0.0 111.756 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.29 -43.53 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.16 -48.07 82.95 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.075 0.852 . . . . 0.0 111.553 172.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -57.58 -45.3 85.41 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.36 -0.838 . . . . 0.0 112.945 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.66 64.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 39.9 t90 . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 123.315 0.646 . . . . 0.0 111.208 175.475 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 118.234 2.679 . . . . 0.0 118.234 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -52.2 -37.23 40.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 N-CA-C 116.922 2.194 . . . . 0.0 116.922 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -66.12 -36.93 27.27 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.064 2.509 . . . . 0.0 113.52 177.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.26 -37.73 28.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.014 0.824 . . . . 0.0 111.895 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.25 -42.51 86.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.133 1.373 . . . . 0.0 111.487 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -69.96 -19.06 63.38 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.69 10.32 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.329 0.968 . . . . 0.0 112.264 171.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 pt -64.69 -32.72 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.274 0.943 . . . . 0.0 112.219 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.75 -23.32 78.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 119.488 -0.618 . . . . 0.0 113.553 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -52.64 62.59 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 1.144 . . . . 0.0 109.66 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.57 -38.59 78.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.599 1.16 . . . . 0.0 111.47 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.42 -51.35 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.755 0.822 . . . . 0.0 112.073 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.16 76.2 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 123.904 0.764 . . . . 0.0 113.348 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mt -75.11 -42.05 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.37 1.068 . . . . 0.0 111.995 169.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -68.62 -57.19 6.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.822 0.849 . . . . 0.0 112.648 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -68.81 -20.35 64.32 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' C' ' 215' ' ' TRP . 35.8 ttmt -59.17 -40.88 86.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.784 1.234 . . . . 0.0 111.197 169.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.34 -25.81 33.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 m -61.8 -41.88 98.31 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.323 1.419 . . . . 0.0 110.739 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.51 -4.69 9.95 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.841 1.686 . . . . 0.0 114.816 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm . . . . . 0 CA--C 1.539 0.529 0 CA-C-N 118.671 1.235 . . . . 0.0 111.788 169.377 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 pttp . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -94.0 24.29 4.37 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.17 1.388 . . . . 0.0 113.289 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.9 t -146.38 148.46 32.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.705 2.002 . . . . 0.0 109.848 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tp -120.3 131.77 55.04 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.739 1.615 . . . . 0.0 110.104 -172.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 t -78.4 151.36 32.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.58 -0.7 . . . . 0.0 111.814 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -60.22 -36.04 76.81 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.398 -2.064 . . . . 0.0 114.054 -171.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -79.84 -29.82 40.22 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.561 -1.337 . . . . 0.0 112.992 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.21 -38.65 91.12 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.646 1.578 . . . . 0.0 110.34 171.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.7 tm? -63.53 -45.1 92.14 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.533 1.933 . . . . 0.0 110.209 169.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -59.17 -36.73 75.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.561 -1.337 . . . . 0.0 111.96 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.69 -42.31 86.67 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.726 0.811 . . . . 0.0 111.81 173.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.06 -53.08 60.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.053 0.941 . . . . 0.0 110.438 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.96 -45.83 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.778 0.717 . . . . 0.0 111.468 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -66.03 -25.02 66.86 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.608 1.095 . . . . 0.0 113.59 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.9 -59.08 2.4 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.405 1.002 . . . . 0.0 113.003 170.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -3.63 58.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -136.14 49.64 2.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.21 2.204 . . . . 0.0 107.274 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.471 0.61 0 C-N-CA 130.009 3.324 . . . . 0.0 113.487 -169.741 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.57 -24.96 64.17 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.018 -1.051 . . . . 0.0 113.219 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.04 -29.56 69.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.384 1.074 . . . . 0.0 112.767 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -81.25 -33.02 33.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.688 0.795 . . . . 0.0 110.509 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.1 -42.38 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.22 -0.925 . . . . 0.0 112.114 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -64.32 -30.34 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 120.364 1.438 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -76.53 -35.99 57.97 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.089 0.859 . . . . 0.0 112.995 171.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.57 -34.24 77.45 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.175 -0.953 . . . . 0.0 111.928 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 ttp -60.11 -41.64 93.0 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.199 1.4 . . . . 0.0 111.21 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.25 -37.18 86.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.363 1.065 . . . . 0.0 112.541 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -72.91 -17.76 61.48 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 172.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -81.3 -46.69 14.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.766 1.227 . . . . 0.0 110.62 169.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.09 -22.77 61.34 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.51 1.524 . . . . 0.0 113.066 170.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -59.37 -22.97 62.14 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 113.162 172.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -73.32 -45.59 54.48 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.57 -0.706 . . . . 0.0 111.885 173.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -161.59 137.13 7.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.589 1.556 . . . . 0.0 112.379 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.98 126.85 28.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.623 1.569 . . . . 0.0 113.504 -173.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 74.26 -44.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 129.399 3.08 . . . . 0.0 113.447 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.24 139.19 50.8 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.363 1.065 . . . . 0.0 111.962 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.11 126.08 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 127.346 2.258 . . . . 0.0 109.007 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -76.84 154.61 33.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.806 -0.559 . . . . 0.0 110.85 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -46.85 -46.05 20.67 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.91 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.087 -1.008 . . . . 0.0 111.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.48 -34.35 72.28 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.631 1.172 . . . . 0.0 111.567 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.35 -44.66 87.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.686 1.594 . . . . 0.0 111.567 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.18 -44.02 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.411 1.005 . . . . 0.0 110.29 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.2 m -59.03 -46.71 87.53 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.709 1.203 . . . . 0.0 111.176 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -66.63 -37.06 84.06 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.843 0.457 . . . . 0.0 112.206 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.22 -29.08 69.26 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.39 0.995 . . . . 0.0 112.388 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.59 86.6 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.109 0.862 . . . . 0.0 112.817 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.13 85.17 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.111 0.956 . . . . 0.0 112.056 170.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.62 -40.84 88.9 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.303 1.441 . . . . 0.0 111.477 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.38 -29.97 71.03 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.077 0.951 . . . . 0.0 113.492 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 tpt -74.22 -27.71 60.92 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.994 0.918 . . . . 0.0 112.922 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.9 mm -54.93 -40.67 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 110.721 169.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.409 ' HA ' ' CZ ' ' D' ' 200' ' ' TYR . 9.8 m-30 -76.52 42.93 0.3 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.416 1.886 . . . . 0.0 113.616 -171.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.95 -13.62 2.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.816 2.847 . . . . 0.0 117.027 -169.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.92 -31.91 72.26 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 120.558 1.526 . . . . 0.0 111.096 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.39 53.46 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.1 mt -90.78 8.73 33.2 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.533 1.933 . . . . 0.0 112.286 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -146.17 -18.13 0.44 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.423 1.889 . . . . 0.0 114.133 175.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 127.575 2.512 . . . . 0.0 113.394 169.786 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 119.175 -0.441 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 -53.52 47.32 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.204 1.927 . . . . 0.0 116.204 -170.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.6 p -54.98 -34.75 26.88 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -169.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -69.11 -33.57 18.77 Favored 'Trans proline' 0 C--N 1.356 0.944 0 CA-C-N 123.595 2.32 . . . . 0.0 113.202 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.55 -46.35 39.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.338 1.427 . . . . 0.0 110.521 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.32 -36.05 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.415 0.686 . . . . 0.0 112.406 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -74.76 -30.23 61.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.416 -0.802 . . . . 0.0 112.703 172.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.75 68.16 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.783 1.174 . . . . 0.0 112.172 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.86 -27.36 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.129 -0.982 . . . . 0.0 111.964 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.77 -35.36 79.85 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.526 1.06 . . . . 0.0 112.766 170.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -47.81 83.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.311 1.444 . . . . 0.0 110.758 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.87 -36.96 82.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.043 0.937 . . . . 0.0 112.07 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.56 -44.67 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.234 0.924 . . . . 0.0 110.925 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.39 95.9 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.28 0.943 . . . . 0.0 113.323 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -36.28 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 117.877 0.839 . . . . 0.0 111.477 172.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.62 -51.03 9.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.017 0.927 . . . . 0.0 112.801 -173.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.27 -25.87 63.55 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -55.17 -42.03 72.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.261 1.024 . . . . 0.0 111.518 169.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -82.3 -36.12 27.29 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.652 1.181 . . . . 0.0 113.701 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 96.6 p -66.48 -39.57 88.83 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.981 -1.074 . . . . 0.0 111.711 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.74 -19.77 73.54 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.944 1.259 . . . . 0.0 114.424 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -64.1 -44.37 92.49 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.975 1.387 . . . . 0.0 111.354 170.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -85.32 -16.95 38.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.795 1.238 . . . . 0.0 112.417 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.18 16.5 43.76 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.558 1.551 . . . . 0.0 113.649 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -87.0 142.56 27.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 112.813 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -75.07 -35.17 61.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -171.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -163.69 19.6 0.07 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -174.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.9 p -126.61 153.23 45.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.175 1.39 . . . . 0.0 112.505 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 140.37 50.9 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.966 1.306 . . . . 0.0 108.534 169.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -78.11 162.3 26.76 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.799 -0.563 . . . . 0.0 109.696 169.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -56.89 -33.88 67.33 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.792 -1.193 . . . . 0.0 112.885 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -68.85 -41.87 77.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.695 1.198 . . . . 0.0 112.838 170.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -75.21 -26.34 58.9 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.128 -0.982 . . . . 0.0 111.884 -176.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -45.94 86.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.086 0.954 . . . . 0.0 109.546 169.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -59.61 -40.92 89.12 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.181 -0.949 . . . . 0.0 111.534 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.35 -51.37 69.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.961 0.904 . . . . 0.0 111.775 171.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.27 -50.72 64.25 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.134 0.973 . . . . 0.0 111.211 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.11 -47.85 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 118.368 0.531 . . . . 0.0 111.456 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.94 -19.02 59.11 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.43 -51.2 6.06 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.006 1.276 . . . . 0.0 113.051 169.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.55 -43.44 13.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.464 0.575 . . . . 0.0 111.876 -169.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.2 mt -83.89 -36.88 23.05 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.576 0.626 . . . . 0.0 110.724 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 C-N-CA 126.331 1.853 . . . . 0.0 111.191 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.06 -28.44 64.55 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.678 -1.264 . . . . 0.0 113.54 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.48 -28.79 68.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.017 1.327 . . . . 0.0 112.878 171.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -80.31 -37.22 33.09 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.171 0.988 . . . . 0.0 110.477 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.08 -39.07 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.22 -0.925 . . . . 0.0 112.279 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.77 -27.6 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.183 0.901 . . . . 0.0 112.606 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -76.09 -35.69 59.25 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.078 0.854 . . . . 0.0 112.595 171.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.29 -39.66 95.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.901 0.773 . . . . 0.0 111.346 169.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -62.25 -38.94 91.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.468 1.107 . . . . 0.0 111.384 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.51 -39.48 94.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.173 0.989 . . . . 0.0 112.463 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -72.37 -20.34 61.47 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.984 1.265 . . . . 0.0 113.995 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.05 -46.14 17.08 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.691 1.197 . . . . 0.0 110.836 169.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.94 -35.47 75.01 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.347 1.059 . . . . 0.0 112.813 173.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -57.37 -27.54 62.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.05 2.14 . . . . 0.0 113.095 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -83.5 -7.14 59.59 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.119 0.968 . . . . 0.0 113.343 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -147.44 -135.72 0.08 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.825 1.65 . . . . 0.0 111.429 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -160.59 100.71 1.32 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.455 1.102 . . . . 0.0 110.175 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 74.04 -28.27 0.19 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.563 2.745 . . . . 0.0 112.91 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.65 144.22 50.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.636 1.974 . . . . 0.0 107.877 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 127.48 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.05 1.74 . . . . 0.0 107.794 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -78.99 158.03 28.01 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.08 0.552 . . . . 0.0 111.523 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -49.15 -44.54 42.79 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.154 1.382 . . . . 0.0 114.528 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -62.64 -43.32 99.1 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.632 -0.667 . . . . 0.0 111.657 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.87 -31.19 63.04 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.77 0.828 . . . . 0.0 111.877 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -60.57 -46.12 91.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 110.745 169.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.2 -35.09 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.067 -1.021 . . . . 0.0 111.988 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.9 m -56.13 -44.6 79.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 110.526 173.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.01 -37.74 81.79 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 173.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.11 -20.6 59.02 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.738 1.153 . . . . 0.0 112.289 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.94 -39.54 93.32 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-N 119.892 1.224 . . . . 0.0 112.648 169.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.86 71.23 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.453 1.126 . . . . 0.0 112.157 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.4 -45.03 92.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.298 0.639 . . . . 0.0 111.368 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.83 74.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 0.0 112.177 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.3 mtp -69.67 -20.85 63.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 172.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -69.34 -26.74 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 120.01 1.277 . . . . 0.0 112.204 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -78.3 53.0 1.19 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.989 1.316 . . . . 0.0 111.24 169.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -53.42 -36.36 61.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.771 1.628 . . . . 0.0 114.567 -169.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -62.24 -30.88 71.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.653 0.781 . . . . 0.0 112.901 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.81 63.14 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.253 -0.904 . . . . 0.0 112.51 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.96 -42.58 63.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.275 1.03 . . . . 0.0 110.282 172.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt . . . . . 0 N--CA 1.474 0.754 0 C-N-CA 123.466 0.707 . . . . 0.0 112.808 -179.615 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 CA-C-O 121.18 0.322 . . . . 0.0 113.443 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.62 -34.34 72.65 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.991 -0.711 . . . . 0.0 112.747 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.4 -27.41 64.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.867 1.267 . . . . 0.0 112.59 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -63.76 -24.66 67.85 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.91 -36.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.028 1.731 . . . . 0.0 109.702 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.78 -28.86 66.1 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.569 1.548 . . . . 0.0 111.914 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -55.36 -27.22 45.9 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.946 -1.096 . . . . 0.0 113.115 172.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -71.96 -10.83 60.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.19 0.996 . . . . 0.0 113.538 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 21.8 mt -99.63 -25.26 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.506 2.322 . . . . 0.0 111.156 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -51.95 -42.83 63.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.46 -3.34 46.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.321 1.449 . . . . 0.0 114.0 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -101.36 -36.62 8.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.632 1.573 . . . . 0.0 111.695 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -85.87 16.15 43.61 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.499 1.523 . . . . 0.0 114.197 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.63 154.69 35.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.306 1.443 . . . . 0.0 114.012 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 21.0 t70 72.03 -31.66 0.23 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 129.336 3.054 . . . . 0.0 115.674 171.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -85.05 -22.0 29.18 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.993 1.27 . . . . 0.0 113.587 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.35 -48.94 79.6 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.66 0.784 . . . . 0.0 111.65 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -62.27 -30.98 71.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.884 -1.135 . . . . 0.0 113.07 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -77.64 -24.05 49.56 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.261 1.024 . . . . 0.0 111.641 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 54.1 m -78.25 -52.89 7.98 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.569 1.948 . . . . 0.0 110.79 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.21 -35.76 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.2 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -55.27 -58.97 5.52 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.236 0.925 . . . . 0.0 112.018 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.72 -38.45 91.14 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.966 -1.084 . . . . 0.0 112.794 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.84 -38.08 84.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.663 0.785 . . . . 0.0 112.839 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . 0.464 ' HA ' ' HE2' ' A' ' 18' ' ' LYS . 4.5 t-105 . . . . . 0 CA--C 1.537 0.476 0 O-C-N 121.695 -0.628 . . . . 0.0 111.741 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.02 -32.08 63.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 11.3 mmt -53.1 -33.81 53.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.418 1.087 . . . . 0.0 112.56 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.11 -19.18 64.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.7 t -97.0 -40.35 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.153 1.381 . . . . 0.0 108.553 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.95 -34.86 78.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.895 1.678 . . . . 0.0 112.035 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.01 -29.42 70.26 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 112.836 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -65.78 -26.82 67.88 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.647 -1.283 . . . . 0.0 112.427 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 9.8 mm -79.0 -39.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.888 1.275 . . . . 0.0 110.837 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 84' ' ' TYR . 1.9 t80 -58.52 -36.78 74.36 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.289 -0.882 . . . . 0.0 112.731 173.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.13 -3.02 4.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.03 1.332 . . . . 0.0 114.556 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -108.51 -47.65 3.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.524 1.53 . . . . 0.0 110.401 168.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 64.43 -156.4 45.71 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.514 1.53 . . . . 0.0 116.413 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -159.16 145.6 16.73 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.359 1.864 . . . . 0.0 111.234 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.7 -41.64 21.03 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -73.49 -25.77 60.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.46 -56.51 16.32 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.328 1.051 . . . . 0.0 109.865 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -63.99 -25.72 68.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.83 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -69.43 -37.51 77.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.708 1.595 . . . . 0.0 111.813 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 96.9 m -68.97 -42.85 76.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.306 1.442 . . . . 0.0 111.45 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.21 -51.11 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.094 0.558 . . . . 0.0 110.927 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -56.8 -50.12 73.32 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.672 0.669 . . . . 0.0 112.112 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.18 -35.24 80.16 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.18 89.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.309 0.958 . . . . 0.0 112.427 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.6 m95 . . . . . 0 CA--C 1.54 0.576 0 O-C-N 121.452 -0.78 . . . . 0.0 111.879 175.753 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -59.22 -29.98 6.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -66.76 -36.56 23.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.234 1.956 . . . . 0.0 112.62 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -78.17 -40.13 38.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.759 0.709 . . . . 0.0 110.967 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.09 -42.96 73.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.193 1.397 . . . . 0.0 112.531 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.49 -22.1 60.24 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.09 -47.69 14.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.809 0.844 . . . . 0.0 112.187 174.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.4 pt -63.61 -33.65 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.146 -0.971 . . . . 0.0 110.992 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.07 71.81 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.693 1.14 . . . . 0.0 113.729 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -49.6 58.0 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.868 1.334 . . . . 0.0 110.058 174.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.2 -39.94 84.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.369 1.068 . . . . 0.0 111.379 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.93 -48.37 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.066 0.848 . . . . 0.0 110.873 171.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.91 -24.84 73.12 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.478 1.037 . . . . 0.0 113.703 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.21 -47.43 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.079 1.352 . . . . 0.0 111.362 169.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.08 -55.93 5.82 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -69.81 -23.91 63.39 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -169.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -50.2 -44.6 53.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.94 1.296 . . . . 0.0 111.711 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -80.91 -30.81 35.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.684 1.194 . . . . 0.0 113.027 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -64.52 -31.92 73.34 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.353 -0.842 . . . . 0.0 112.868 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.34 -9.28 79.79 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.98 1.276 . . . . 0.0 113.964 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt . . . . . 0 CA--C 1.544 0.715 0 CA-C-N 119.085 1.443 . . . . 0.0 112.86 -177.253 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 122.108 0.956 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 61.24 2.11 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.044 1.737 . . . . 0.0 113.536 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -131.96 157.93 42.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.503 1.921 . . . . 0.0 111.209 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 99.0 mt -126.69 133.37 50.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.325 1.85 . . . . 0.0 108.327 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.2 p -79.2 175.15 10.85 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.61 -0.681 . . . . 0.0 112.666 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -31.68 63.54 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 175.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -80.6 -46.35 15.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.387 -0.821 . . . . 0.0 111.39 169.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.69 -30.4 71.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.807 0.731 . . . . 0.0 112.956 -174.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -50.25 69.85 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.562 -0.711 . . . . 0.0 110.46 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.25 -30.11 71.31 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.217 -0.927 . . . . 0.0 112.692 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.66 -49.27 75.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.942 0.897 . . . . 0.0 110.57 173.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.35 -52.99 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.718 0.807 . . . . 0.0 110.796 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.76 -49.02 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.899 0.772 . . . . 0.0 111.625 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.25 -27.59 64.57 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.477 1.035 . . . . 0.0 112.766 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -87.16 -38.85 16.05 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.62 -51.86 5.66 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 111.851 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.83 68.96 10.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.497 1.119 . . . . 0.0 109.086 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 126.099 1.76 . . . . 0.0 112.098 -174.571 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.88 -26.55 64.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.62 -1.3 . . . . 0.0 113.151 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -27.94 68.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 113.268 170.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -80.79 -41.35 23.52 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.351 1.061 . . . . 0.0 110.318 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.3 mm -70.02 -33.5 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.84 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.96 -29.93 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 119.962 1.255 . . . . 0.0 112.089 171.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -76.19 -36.28 58.72 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.438 1.017 . . . . 0.0 111.88 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.14 -42.79 99.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.713 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -60.8 -37.9 83.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.033 0.933 . . . . 0.0 111.672 172.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.59 -31.85 70.25 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.515 1.126 . . . . 0.0 113.207 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -74.09 -26.26 60.27 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.181 -0.95 . . . . 0.0 112.673 171.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.92 -56.43 5.72 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 110.105 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -66.23 -18.23 65.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.215 2.206 . . . . 0.0 114.375 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -22.13 4.79 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.429 1.492 . . . . 0.0 112.459 169.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.77 -8.2 59.11 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -144.8 -98.63 0.1 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 120.398 1.454 . . . . 0.0 114.058 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.71 -55.64 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.959 1.254 . . . . 0.0 113.78 -169.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -157.05 27.75 0.31 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.005 1.722 . . . . 0.0 111.685 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.64 169.01 20.81 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.263 1.825 . . . . 0.0 111.814 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.63 122.84 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.585 1.154 . . . . 0.0 110.281 169.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.38 163.05 20.83 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.513 173.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.15 -44.93 71.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -63.07 -45.34 92.63 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.699 0.681 . . . . 0.0 110.665 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -71.75 -34.89 69.87 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.89 1.276 . . . . 0.0 111.404 -173.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.21 -39.43 82.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.174 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 mt -74.57 -36.52 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.15 -0.968 . . . . 0.0 112.326 175.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -54.21 -42.34 69.66 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.942 1.246 . . . . 0.0 111.443 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -69.32 -39.32 78.3 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.57 -20.65 64.91 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 172.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.08 96.32 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 119.479 1.036 . . . . 0.0 111.927 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.67 -36.66 65.36 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.982 0.891 . . . . 0.0 112.382 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.01 -35.43 79.91 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.496 0.589 . . . . 0.0 111.657 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.25 76.72 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.509 0.724 . . . . 0.0 110.688 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.61 -29.71 69.39 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.109 1.364 . . . . 0.0 114.02 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 tp -59.4 -31.55 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.12 0.873 . . . . 0.0 112.527 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -77.1 54.3 1.04 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.063 1.345 . . . . 0.0 111.695 169.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -52.5 -26.57 13.38 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -173.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -79.64 -18.07 52.31 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.073 1.306 . . . . 0.0 113.688 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -40.82 64.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.558 1.143 . . . . 0.0 109.347 169.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.72 -28.8 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.171 1.388 . . . . 0.0 112.273 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -65.21 -34.81 79.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.887 0.875 . . . . 0.0 112.597 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.895 1.712 . . . . 0.0 111.969 -177.31 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 119.31 -0.376 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.71 -22.78 37.17 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -57.17 -34.19 24.24 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.199 1.926 . . . . 0.0 116.199 -174.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.55 -36.58 52.88 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.317 2.678 . . . . 0.0 113.01 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.41 -40.22 44.33 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.95 0.796 . . . . 0.0 111.191 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -59.9 -39.9 86.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.948 0.899 . . . . 0.0 112.232 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -73.93 -22.3 59.72 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.17 -49.83 13.09 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.781 1.173 . . . . 0.0 112.298 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.38 -32.21 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.126 0.876 . . . . 0.0 111.294 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.32 -22.81 74.85 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.198 1.38 . . . . 0.0 113.903 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -48.01 61.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.166 1.483 . . . . 0.0 109.847 175.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.89 -39.85 90.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.956 0.902 . . . . 0.0 111.416 175.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.67 -44.8 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.61 0.641 . . . . 0.0 110.769 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 -28.48 73.81 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.355 0.978 . . . . 0.0 113.775 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.3 mt -79.23 -48.46 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.634 1.174 . . . . 0.0 112.004 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -77.53 -52.27 9.33 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.975 0.91 . . . . 0.0 113.004 -170.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.99 -19.38 60.67 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.662 -0.649 . . . . 0.0 112.666 -172.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.12 -41.17 96.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.76 0.824 . . . . 0.0 109.781 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -34.13 35.67 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -174.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -67.38 -5.64 15.46 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.6 -7.34 84.59 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 118.835 -0.981 . . . . 0.0 114.59 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -77.38 -42.8 35.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.481 1.641 . . . . 0.0 112.449 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -138.86 -28.98 0.79 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.017 1.327 . . . . 0.0 113.511 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.92 -156.19 9.61 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.958 1.266 . . . . 0.0 113.41 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.83 -51.62 0.05 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.701 1.2 . . . . 0.0 112.343 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -86.81 -162.64 0.8 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.316 1.046 . . . . 0.0 112.032 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -73.88 50.52 0.36 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.31 1.844 . . . . 0.0 113.571 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t -150.6 152.97 34.87 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.684 1.594 . . . . 0.0 111.093 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -121.29 143.77 48.99 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.801 1.641 . . . . 0.0 109.9 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.0 m -77.2 154.74 32.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.624 -1.297 . . . . 0.0 109.314 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -56.14 -40.28 73.55 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.083 -1.636 . . . . 0.0 113.953 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -78.44 -22.52 47.52 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -68.49 -43.49 76.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.018 1.327 . . . . 0.0 109.801 171.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.408 ' C ' HD13 ' B' ' 34' ' ' LEU . 1.9 tm? -62.01 -44.89 95.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.249 1.42 . . . . 0.0 111.313 169.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -55.93 -40.23 72.82 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.169 -0.957 . . . . 0.0 111.347 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.09 -43.68 81.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 117.96 -1.019 . . . . 0.0 112.162 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.81 -52.53 40.32 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.929 1.24 . . . . 0.0 110.582 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.86 -46.88 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 118.6 -0.714 . . . . 0.0 111.599 -175.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -78.17 -11.17 59.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -88.79 -53.56 4.56 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.356 0.98 . . . . 0.0 112.171 169.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -88.68 -40.4 13.31 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.423 1.489 . . . . 0.0 114.109 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.23 23.49 11.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.901 1.68 . . . . 0.0 112.367 -169.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.403 0 C-N-CA 128.499 2.72 . . . . 0.0 113.68 -169.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -61.32 -35.81 78.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.612 -1.305 . . . . 0.0 112.204 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.74 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.084 1.353 . . . . 0.0 113.382 171.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -81.73 -38.57 25.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.791 0.836 . . . . 0.0 110.907 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.81 -41.77 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 111.66 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.62 -25.84 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.905 1.23 . . . . 0.0 112.296 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -78.2 -32.21 49.89 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.433 1.015 . . . . 0.0 112.968 170.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.41 -40.73 85.6 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.867 -1.146 . . . . 0.0 111.593 170.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.68 -42.85 97.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.641 1.576 . . . . 0.0 111.254 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.15 -43.02 96.06 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.957 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.8 -45.3 93.27 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.968 1.258 . . . . 0.0 112.168 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.31 -41.97 97.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.139 1.375 . . . . 0.0 112.352 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.25 -41.12 90.43 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.161 1.384 . . . . 0.0 112.807 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -70.39 -20.98 62.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.393 1.877 . . . . 0.0 112.737 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.14 -28.91 64.62 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.509 0.724 . . . . 0.0 112.031 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -107.03 -129.36 0.28 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.94 1.696 . . . . 0.0 109.925 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.13 -17.97 0.57 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -174.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -172.8 -32.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.198 1.399 . . . . 0.0 112.067 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.15 141.63 51.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.096 1.759 . . . . 0.0 106.51 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.7 t -84.27 102.42 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.448 1.899 . . . . 0.0 108.854 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -78.29 149.55 33.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.513 0.725 . . . . 0.0 111.759 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -53.52 -40.55 65.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.273 1.429 . . . . 0.0 114.777 -175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -71.49 -35.46 70.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.849 1.204 . . . . 0.0 111.999 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.56 -34.79 67.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.942 0.897 . . . . 0.0 111.791 175.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.79 -45.41 93.97 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.856 1.263 . . . . 0.0 111.404 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.4 mt -68.47 -38.21 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 118.672 -0.68 . . . . 0.0 111.495 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 67.5 m -58.73 -45.4 89.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.255 0.934 . . . . 0.0 111.0 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.08 -42.27 99.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.67 0.788 . . . . 0.0 111.96 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.81 -23.15 67.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.258 0.935 . . . . 0.0 112.89 173.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.6 64.94 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 119.434 1.015 . . . . 0.0 112.701 170.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.43 71.41 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.134 0.967 . . . . 0.0 112.204 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.52 -41.73 92.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.77 0.828 . . . . 0.0 110.642 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.77 71.68 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.327 1.051 . . . . 0.0 112.048 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.2 ttm -72.81 -31.8 65.08 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.513 1.125 . . . . 0.0 113.136 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 tp -61.97 -28.39 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -174.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -62.84 -17.14 60.98 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 67.63 -59.8 0.4 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 129.238 3.015 . . . . 0.0 114.698 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.99 -33.8 76.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.704 1.202 . . . . 0.0 111.673 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.49 72.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.028 0.931 . . . . 0.0 113.008 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.99 15.62 18.34 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt . . . . . 0 N--CA 1.476 0.83 0 C-N-CA 124.798 1.239 . . . . 0.0 112.948 170.257 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.193 0 CA-C-O 119.487 -0.619 . . . . 0.0 113.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.99 -65.24 0.72 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.033 1.333 . . . . 0.0 109.019 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -53.52 -32.16 49.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.923 1.289 . . . . 0.0 112.215 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.07 -20.49 62.65 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 70.4 t -96.75 -35.54 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 120.18 1.354 . . . . 0.0 109.59 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.18 -31.86 66.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.277 1.831 . . . . 0.0 112.257 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.54 -28.57 68.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.324 1.049 . . . . 0.0 112.86 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -64.78 -21.74 66.84 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.541 1.136 . . . . 0.0 112.937 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.96 -48.04 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.068 1.347 . . . . 0.0 110.581 170.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -51.41 -41.46 60.76 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.694 1.198 . . . . 0.0 113.799 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -81.74 -2.75 51.73 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.814 1.246 . . . . 0.0 113.606 -175.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -110.87 -38.46 5.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 113.387 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.28 151.41 51.77 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.827 1.203 . . . . 0.0 114.08 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.83 154.53 41.21 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.018 1.327 . . . . 0.0 113.366 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -79.33 36.41 0.3 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.931 2.092 . . . . 0.0 113.41 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -71.92 -34.27 68.94 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.731 -1.23 . . . . 0.0 113.387 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 54.6 ttm -62.89 -47.0 85.2 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.697 0.68 . . . . 0.0 110.55 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -11.3 32.94 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -89.77 -44.04 10.26 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.391 0.996 . . . . 0.0 111.185 169.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.5 m -69.7 -37.92 76.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.502 1.521 . . . . 0.0 112.99 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.33 -39.72 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.824 0.849 . . . . 0.0 111.773 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.06 -48.81 78.99 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.944 0.793 . . . . 0.0 111.362 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.05 -49.4 78.04 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.328 -0.857 . . . . 0.0 111.656 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.85 68.98 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 123.799 0.84 . . . . 0.0 111.686 172.289 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 N-CA-C 112.339 -0.305 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.83 -25.55 63.31 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.293 1.037 . . . . 0.0 113.768 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.41 -29.35 15.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.305 1.442 . . . . 0.0 112.883 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.84 -15.83 63.88 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.57 -37.83 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.459 1.904 . . . . 0.0 110.346 173.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -66.85 -25.85 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.554 1.142 . . . . 0.0 111.937 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.73 -27.21 62.79 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.311 -0.868 . . . . 0.0 112.746 170.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -70.85 -16.1 62.68 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.07 0.948 . . . . 0.0 112.699 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.86 -41.74 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.375 1.47 . . . . 0.0 110.48 169.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -50.7 -42.97 57.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.07 0.948 . . . . 0.0 113.234 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.25 -4.47 22.0 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -79.45 -20.0 48.51 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.034 0.934 . . . . 0.0 112.514 170.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 98.88 -171.34 24.71 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.904 1.716 . . . . 0.0 114.542 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -164.32 164.8 22.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.513 2.325 . . . . 0.0 110.593 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.25 -38.62 0.09 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.13 -19.45 60.57 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 22.5 mmt -54.02 -50.46 66.59 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.376 1.07 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -65.39 -26.54 68.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.863 0.865 . . . . 0.0 113.247 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -83.38 -27.02 29.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.797 1.239 . . . . 0.0 112.282 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 30.3 m -91.82 -48.27 6.88 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.068 1.347 . . . . 0.0 111.512 -177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 88.8 mt -75.2 -46.7 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.735 0.814 . . . . 0.0 111.439 -169.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -59.53 -41.18 89.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.671 1.123 . . . . 0.0 111.679 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.7 -53.99 51.31 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.444 0.698 . . . . 0.0 111.379 173.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.76 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 10.4 m95 . . . . . 0 N--CA 1.473 0.706 0 C-N-CA 124.855 1.262 . . . . 0.0 113.224 179.251 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 p -38.21 -49.92 3.33 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -169.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.96 -36.24 31.41 Favored 'Trans proline' 0 C--N 1.355 0.88 0 CA-C-N 122.617 1.97 . . . . 0.0 112.729 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.09 -39.49 25.6 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.436 1.016 . . . . 0.0 111.96 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.39 -38.05 82.72 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.891 1.276 . . . . 0.0 112.203 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -73.84 -23.9 59.69 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 173.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.42 -48.75 12.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.685 1.13 . . . . 0.0 112.622 175.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.9 pt -63.02 -35.27 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.87 -1.144 . . . . 0.0 110.586 172.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -27.31 71.28 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 124.818 1.199 . . . . 0.0 113.113 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -49.75 58.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.674 1.737 . . . . 0.0 110.15 173.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.63 -43.37 89.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.403 0.681 . . . . 0.0 110.917 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -66.65 -41.98 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.883 0.765 . . . . 0.0 110.934 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.63 89.71 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.511 1.053 . . . . 0.0 112.626 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mt -66.19 -35.13 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.214 1.007 . . . . 0.0 111.905 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -65.87 -53.55 38.24 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.33 0.968 . . . . 0.0 111.154 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.27 -26.86 64.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -51.85 -48.59 63.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.775 1.23 . . . . 0.0 111.537 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.484 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 50.8 m-85 -81.84 -36.42 28.29 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p -67.39 -30.87 70.76 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 121.098 1.772 . . . . 0.0 112.742 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 -8.75 59.41 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.764 1.173 . . . . 0.0 114.811 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' A' ' 19' ' ' TYR . 39.6 mttm . . . . . 0 N--CA 1.472 0.669 0 CA-C-N 119.037 1.419 . . . . 0.0 112.241 171.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.83 17.85 0.88 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -169.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -155.74 147.46 23.07 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.465 1.506 . . . . 0.0 111.896 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.6 154.35 35.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.986 1.714 . . . . 0.0 110.527 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -79.62 158.01 27.16 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.298 -0.876 . . . . 0.0 110.385 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -55.77 -39.53 71.35 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.506 -1.371 . . . . 0.0 113.69 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -31.0 63.38 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.035 -1.041 . . . . 0.0 113.784 176.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.75 -38.5 73.5 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.451 1.1 . . . . 0.0 110.413 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.4 -43.08 91.76 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.338 1.055 . . . . 0.0 110.395 169.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -57.61 -37.64 73.59 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.044 -1.035 . . . . 0.0 111.619 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.09 -40.3 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.723 0.809 . . . . 0.0 112.173 175.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -54.67 -51.23 66.13 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.486 1.039 . . . . 0.0 110.403 169.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.62 -50.81 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.587 0.631 . . . . 0.0 111.013 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.02 -28.39 69.77 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -86.68 -45.4 11.02 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.43 -43.16 12.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.822 0.849 . . . . 0.0 112.936 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -112.88 45.07 1.39 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.842 2.457 . . . . 0.0 110.014 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.473 0.695 0 C-N-CA 127.494 2.317 . . . . 0.0 113.631 -169.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.43 -25.21 61.95 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.915 -1.116 . . . . 0.0 112.499 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.41 71.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.894 1.278 . . . . 0.0 113.188 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.99 -33.19 33.92 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.475 0.58 . . . . 0.0 110.739 169.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.42 -40.78 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.286 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -27.82 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.642 1.565 . . . . 0.0 112.984 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.19 -40.33 59.4 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.996 0.817 . . . . 0.0 112.55 170.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.86 -34.0 77.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.858 0.863 . . . . 0.0 111.888 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.58 -39.18 87.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.089 1.356 . . . . 0.0 110.992 169.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.41 -36.85 83.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.337 0.971 . . . . 0.0 113.04 171.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -66.73 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.706 1.139 . . . . 0.0 112.657 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.33 -44.64 19.16 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.893 1.677 . . . . 0.0 112.416 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.09 -15.12 63.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.493 1.917 . . . . 0.0 113.238 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.66 -18.04 4.09 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.754 1.622 . . . . 0.0 113.817 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.12 -33.15 73.92 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -148.04 -19.55 0.35 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -170.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t0 66.75 50.38 1.15 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.311 1.844 . . . . 0.0 111.802 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 176.39 -41.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.261 2.624 . . . . 0.0 111.849 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -145.35 154.16 42.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.442 1.497 . . . . 0.0 111.232 -170.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.6 t -111.71 105.1 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 127.513 2.325 . . . . 0.0 108.649 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -82.45 151.89 26.35 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 112.276 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.85 -40.13 63.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.396 1.478 . . . . 0.0 114.687 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.13 -39.2 89.69 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.66 -0.65 . . . . 0.0 112.002 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.93 -40.38 75.55 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.844 0.458 . . . . 0.0 111.093 173.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -57.73 -46.13 84.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.201 1.0 . . . . 0.0 113.132 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -43.76 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 120.033 1.288 . . . . 0.0 111.206 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 m -57.15 -44.19 83.2 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.161 0.985 . . . . 0.0 110.853 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.82 -40.84 79.3 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.528 1.531 . . . . 0.0 112.344 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.56 -26.12 68.27 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.601 1.091 . . . . 0.0 111.88 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.08 -38.13 93.72 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 118.99 0.814 . . . . 0.0 112.565 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.0 74.07 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.989 0.895 . . . . 0.0 111.778 170.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.21 -43.08 87.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.133 -0.979 . . . . 0.0 111.007 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.74 99.3 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.579 1.152 . . . . 0.0 112.686 173.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 ptm -71.75 -24.26 61.74 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.621 1.101 . . . . 0.0 113.404 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.41 -27.74 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.922 0.889 . . . . 0.0 111.818 170.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -77.01 54.16 1.01 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 122.454 1.121 . . . . 0.0 110.657 168.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -44.57 -36.05 2.84 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.742 2.817 . . . . 0.0 115.739 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.27 -25.78 66.23 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.819 0.736 . . . . 0.0 112.532 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.08 -20.08 63.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.714 0.806 . . . . 0.0 112.667 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.5 -4.75 33.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.041 1.736 . . . . 0.0 112.467 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -87.69 -48.29 7.99 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.46 1.104 . . . . 0.0 109.824 169.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 C-N-CA 126.514 2.007 . . . . 0.0 115.189 175.46 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.428 0.156 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.3 21.67 0.08 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.717 2.407 . . . . 0.0 112.127 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.7 p -44.71 -42.07 13.68 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.45 -38.6 14.36 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 123.307 2.217 . . . . 0.0 113.132 -171.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.25 -39.99 22.23 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.06 0.845 . . . . 0.0 112.183 170.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.39 -39.19 82.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.68 0.673 . . . . 0.0 112.513 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.27 -30.83 71.87 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.7 0.682 . . . . 0.0 112.287 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.28 -49.1 12.03 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.906 0.882 . . . . 0.0 112.451 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.64 -30.86 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.087 0.858 . . . . 0.0 111.517 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.76 -35.35 90.84 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.479 1.514 . . . . 0.0 112.983 172.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.27 78.09 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.714 1.206 . . . . 0.0 110.563 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.86 -40.52 80.38 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.998 0.919 . . . . 0.0 111.654 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -46.0 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.703 1.138 . . . . 0.0 111.548 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.76 -36.68 92.58 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 123.829 0.728 . . . . 0.0 114.131 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.54 -44.0 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.921 1.361 . . . . 0.0 111.505 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -74.06 -54.99 6.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.387 0.994 . . . . 0.0 113.589 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -68.15 -24.41 64.99 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -46.68 -47.52 20.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.714 1.205 . . . . 0.0 112.37 169.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -82.62 -34.36 27.6 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.998 1.319 . . . . 0.0 113.487 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.6 m -61.52 -43.07 99.53 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.884 -1.135 . . . . 0.0 112.297 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.29 -16.62 67.27 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.492 1.044 . . . . 0.0 113.527 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.45 -34.47 65.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.204 1.002 . . . . 0.0 112.172 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -77.18 -40.31 45.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.342 0.657 . . . . 0.0 110.452 169.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.03 -18.14 33.21 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 126.507 2.004 . . . . 0.0 116.657 169.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.71 -44.02 19.39 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.132 1.466 . . . . 0.0 113.356 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -150.05 166.77 28.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.978 1.711 . . . . 0.0 112.109 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -74.43 58.03 0.73 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.229 1.812 . . . . 0.0 113.233 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -136.78 165.17 26.55 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.22 2.208 . . . . 0.0 110.677 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -129.07 122.23 29.53 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.975 1.31 . . . . 0.0 109.971 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -78.28 169.12 18.78 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.827 0.822 . . . . 0.0 110.653 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -53.02 -47.79 68.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.146 1.378 . . . . 0.0 114.598 -169.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.92 -32.0 70.06 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.18 -39.39 63.22 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.242 . . . . 0.0 111.457 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.64 -47.58 84.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.391 1.076 . . . . 0.0 110.499 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -57.76 -37.82 74.33 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.704 0.684 . . . . 0.0 112.406 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -64.69 -39.78 94.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.645 0.657 . . . . 0.0 112.428 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.04 -56.25 24.7 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.771 0.828 . . . . 0.0 110.291 169.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.92 -45.88 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 118.133 0.424 . . . . 0.0 111.125 -172.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.94 -20.3 59.74 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.838 0.744 . . . . 0.0 112.821 -175.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -86.17 -51.71 6.12 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.567 1.076 . . . . 0.0 113.398 169.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.74 -34.53 21.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.098 0.959 . . . . 0.0 112.279 -169.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 18.3 mt -117.84 45.11 2.03 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.795 2.038 . . . . 0.0 109.829 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.473 0.698 0 C-N-CA 126.638 1.975 . . . . 0.0 114.755 -169.1 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.36 -39.0 45.18 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.333 1.853 . . . . 0.0 113.905 -174.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.26 69.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.83 0.852 . . . . 0.0 113.179 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -81.35 -39.84 24.45 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.811 0.845 . . . . 0.0 110.698 169.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -63.0 -39.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.496 0.718 . . . . 0.0 112.082 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.92 -31.62 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.611 1.096 . . . . 0.0 112.435 175.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -78.47 -28.65 46.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.014 0.825 . . . . 0.0 112.557 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.91 -42.07 86.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.988 0.915 . . . . 0.0 109.838 168.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.07 -36.95 85.31 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.916 1.286 . . . . 0.0 111.19 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.13 -20.2 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.748 1.219 . . . . 0.0 113.515 172.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -80.63 -39.98 26.43 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 111.027 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.46 -38.57 77.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.219 1.408 . . . . 0.0 111.103 169.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.69 -31.44 69.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.037 1.335 . . . . 0.0 113.309 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 -71.55 -14.39 62.08 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.355 -0.841 . . . . 0.0 113.002 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.58 -27.96 26.9 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.409 1.004 . . . . 0.0 111.965 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -161.48 124.95 3.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.18 1.392 . . . . 0.0 112.952 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.49 131.6 51.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.607 1.563 . . . . 0.0 113.1 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.46 -63.51 0.3 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 128.237 2.615 . . . . 0.0 110.022 176.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.71 134.98 47.37 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.068 2.147 . . . . 0.0 109.934 -171.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.16 115.28 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.121 0.968 . . . . 0.0 111.855 -169.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -80.04 161.38 25.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.708 1.603 . . . . 0.0 112.061 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -49.57 -58.3 5.48 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -29.41 68.29 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.042 -1.036 . . . . 0.0 111.861 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -73.73 -32.88 64.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.39 2.276 . . . . 0.0 111.257 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -69.84 -40.24 75.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.167 1.387 . . . . 0.0 111.426 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.92 -32.24 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 120.789 -1.194 . . . . 0.0 111.589 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.0 m -59.74 -40.19 87.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.766 0.827 . . . . 0.0 111.131 172.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.75 -38.82 87.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.786 -0.626 . . . . 0.0 112.46 171.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -25.7 67.95 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.647 1.112 . . . . 0.0 112.067 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.31 86.21 Favored Glycine 0 N--CA 1.468 0.807 0 C-N-CA 124.12 0.867 . . . . 0.0 111.995 169.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.05 99.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.229 1.014 . . . . 0.0 112.059 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.54 -38.93 92.99 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.165 -0.96 . . . . 0.0 111.7 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.67 76.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.06 0.944 . . . . 0.0 112.984 171.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -71.37 -27.85 63.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.74 -37.26 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 0.0 110.797 169.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -74.74 46.79 0.3 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.069 1.348 . . . . 0.0 110.597 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.78 -30.7 34.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.69 2.796 . . . . 0.0 116.585 -168.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.97 -34.9 72.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.095 0.861 . . . . 0.0 112.265 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 -16.5 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -96.47 -26.61 15.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.287 1.435 . . . . 0.0 112.759 172.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt . . . . . 0 CA--C 1.543 0.705 0 CA-C-N 118.941 0.792 . . . . 0.0 112.865 175.609 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 CA-C-O 118.034 -1.425 . . . . 0.0 116.168 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.44 -42.8 78.71 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.83 2.315 . . . . 0.0 112.636 -177.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.48 67.0 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.395 1.078 . . . . 0.0 113.5 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -77.06 -23.43 52.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.933 1.242 . . . . 0.0 112.281 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.96 -45.5 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 109.159 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.25 -26.24 67.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.155 1.382 . . . . 0.0 112.173 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.8 -31.89 72.14 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.069 -1.019 . . . . 0.0 112.362 169.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -71.46 -17.7 62.35 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.15 -0.969 . . . . 0.0 112.769 174.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 29.0 mm -92.68 -35.17 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.638 1.575 . . . . 0.0 110.866 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -53.91 -41.35 67.57 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.259 1.423 . . . . 0.0 111.887 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.75 -4.94 34.51 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -97.53 -47.69 5.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.357 1.063 . . . . 0.0 109.6 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 29.77 -127.96 0.12 Allowed Glycine 0 C--N 1.343 0.945 0 C-N-CA 128.815 3.102 . . . . 0.0 117.035 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -167.26 -149.95 0.1 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.463 2.305 . . . . 0.0 110.132 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.26 -13.84 0.21 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.305 1.842 . . . . 0.0 113.605 -174.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.41 -19.64 66.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 19.6 mmt -48.5 -46.91 39.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.548 1.139 . . . . 0.0 112.465 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -63.94 -24.15 67.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -94.92 -19.95 19.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.936 1.695 . . . . 0.0 113.357 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 38.9 m -94.73 -51.57 4.66 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.688 1.195 . . . . 0.0 111.438 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.8 -40.28 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.945 0.898 . . . . 0.0 111.257 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.16 -65.75 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.499 1.12 . . . . 0.0 112.189 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -61.4 -36.72 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.329 -0.857 . . . . 0.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.11 77.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 1.3 t90 . . . . . 0 CA--C 1.543 0.701 0 CA-C-N 118.671 0.669 . . . . 0.0 111.979 172.437 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.134 0 N-CA-C 112.166 -0.374 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -54.62 -39.9 68.39 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.451 1.101 . . . . 0.0 113.388 -173.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -27.69 33.65 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.277 1.431 . . . . 0.0 114.149 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.11 -8.8 58.71 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.562 1.074 . . . . 0.0 113.648 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.48 -39.15 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.643 1.577 . . . . 0.0 109.036 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.67 -39.02 86.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.317 1.447 . . . . 0.0 111.077 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.84 -36.96 50.09 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.311 1.444 . . . . 0.0 112.971 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.4 -25.17 66.64 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.324 -0.86 . . . . 0.0 112.71 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.25 -43.75 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.024 0.93 . . . . 0.0 110.351 172.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -53.33 -39.55 64.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.644 1.178 . . . . 0.0 113.927 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.18 -6.4 34.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -108.97 -40.91 4.87 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.981 1.713 . . . . 0.0 111.159 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 73.07 -150.83 44.69 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.966 1.746 . . . . 0.0 113.539 173.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -154.91 145.26 22.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.017 1.327 . . . . 0.0 110.778 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -69.57 -17.96 63.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.048 0.939 . . . . 0.0 113.515 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.48 -22.57 28.17 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -45.95 75.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.567 1.076 . . . . 0.0 110.986 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -19.87 66.08 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 51.6 ttp85 -85.44 -22.16 28.43 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.615 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 99.8 m -93.1 -49.74 5.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.914 1.685 . . . . 0.0 112.002 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.15 -32.66 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.63 0.65 . . . . 0.0 111.197 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -54.92 -59.99 3.98 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.856 0.862 . . . . 0.0 111.679 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.65 -35.12 79.48 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.974 -1.079 . . . . 0.0 112.937 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.2 67.57 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 85.9 t90 . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 123.762 0.825 . . . . 0.0 111.522 170.036 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -53.41 -36.44 38.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -170.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.87 -34.87 13.37 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 123.052 2.501 . . . . 0.0 113.155 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.9 tp -80.42 -38.27 30.48 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 111.629 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -60.83 -39.99 91.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.025 0.93 . . . . 0.0 111.692 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.25 -18.49 63.14 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.91 -52.84 6.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.208 0.913 . . . . 0.0 112.545 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 pt -65.01 -30.99 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 120.221 1.373 . . . . 0.0 112.02 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -24.46 74.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.343 0.973 . . . . 0.0 112.777 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -52.74 51.96 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.831 1.316 . . . . 0.0 109.887 171.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.62 -42.83 75.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.631 1.172 . . . . 0.0 110.851 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.07 -49.56 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 118.73 0.695 . . . . 0.0 111.932 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.73 -32.51 74.34 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.832 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -63.66 -52.02 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.294 1.047 . . . . 0.0 110.267 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.07 -48.68 77.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 111.807 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -26.98 64.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 28.4 ttpt -60.21 -43.01 96.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.105 0.866 . . . . 0.0 111.156 173.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CE2' ' HE2' ' A' ' 18' ' ' LYS . 63.6 m-85 -82.21 -38.4 24.62 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 76.9 p -65.24 -10.78 34.8 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.7 -6.0 89.19 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.885 -0.953 . . . . 0.0 114.762 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt . . . . . 0 CA--C 1.545 0.773 0 CA-C-N 119.317 1.558 . . . . 0.0 112.691 177.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.3 pttt . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 17.27 2.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.34 1.456 . . . . 0.0 114.721 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -159.5 143.78 15.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 113.354 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -113.55 153.53 28.63 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.191 1.796 . . . . 0.0 109.35 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -76.57 164.32 26.05 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.185 -0.947 . . . . 0.0 110.504 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.04 -36.0 72.12 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.128 -1.608 . . . . 0.0 113.392 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -75.24 -38.01 60.78 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 112.741 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -67.33 -40.6 85.91 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.31 1.044 . . . . 0.0 111.009 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.9 tm? -58.77 -47.43 84.74 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.555 1.142 . . . . 0.0 109.003 169.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -52.71 -36.01 56.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.994 0.816 . . . . 0.0 112.901 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.7 -48.53 76.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.427 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.89 -53.54 47.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.663 1.585 . . . . 0.0 111.548 172.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.2 pt -72.19 -26.81 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.28 -31.84 73.2 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.774 1.17 . . . . 0.0 111.905 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -62.53 1.64 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.675 0.79 . . . . 0.0 111.353 170.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -78.25 -33.11 49.91 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 -167.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -118.96 42.3 2.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.55 1.54 . . . . 0.0 109.805 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -168.829 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.37 -29.98 69.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.302 0.955 . . . . 0.0 113.164 -176.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.1 -27.78 68.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 112.928 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -80.09 -38.77 31.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.975 0.91 . . . . 0.0 110.519 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -61.02 -43.96 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.164 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.7 m -66.06 -26.6 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 119.978 1.263 . . . . 0.0 113.049 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.88 -37.22 35.29 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.397 0.999 . . . . 0.0 112.494 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.06 -41.01 97.71 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.88 1.218 . . . . 0.0 110.845 169.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.49 -45.47 91.58 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.13 1.372 . . . . 0.0 111.085 172.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.06 -44.53 96.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.643 0.777 . . . . 0.0 112.001 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.65 -29.38 69.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.201 0.91 . . . . 0.0 112.759 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.18 -51.95 21.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.13 1.372 . . . . 0.0 112.015 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -72.26 -27.81 62.73 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.223 1.809 . . . . 0.0 113.686 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -10.62 60.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.936 1.088 . . . . 0.0 113.936 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -71.69 -19.81 62.02 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 112.246 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.93 -97.19 0.44 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.798 1.639 . . . . 0.0 111.822 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -163.08 -71.46 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.107 1.363 . . . . 0.0 112.397 -170.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -142.77 20.24 1.99 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.334 1.853 . . . . 0.0 111.793 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -156.88 162.94 39.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.231 1.812 . . . . 0.0 111.175 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.56 112.3 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.178 1.391 . . . . 0.0 109.249 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -79.78 168.62 19.06 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.57 -36.7 84.65 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -173.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -66.9 -46.5 74.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.589 -0.694 . . . . 0.0 110.681 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.51 -36.11 81.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.733 0.813 . . . . 0.0 112.265 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -55.44 -51.8 65.73 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.906 0.882 . . . . 0.0 111.643 170.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.51 -39.53 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.887 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.3 m -60.05 -36.11 76.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.247 1.019 . . . . 0.0 111.596 172.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -72.94 -35.61 67.03 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 112.766 173.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.9 -29.65 70.35 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.425 1.466 . . . . 0.0 111.493 170.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.01 -35.85 92.36 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 123.966 0.793 . . . . 0.0 113.353 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.5 62.0 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.476 1.138 . . . . 0.0 112.089 169.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.41 -45.21 76.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.935 1.294 . . . . 0.0 111.177 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.8 69.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.977 1.311 . . . . 0.0 113.789 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.4 tmm? -77.45 -35.73 53.66 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.16 -35.21 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.613 1.097 . . . . 0.0 110.88 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -72.32 39.4 0.08 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.81 1.644 . . . . 0.0 112.629 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.5 -30.36 0.56 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 129.699 3.199 . . . . 0.0 118.641 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.19 -32.33 66.35 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 121.598 1.999 . . . . 0.0 112.919 173.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -18.15 62.39 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.196 1.398 . . . . 0.0 113.959 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.86 17.11 10.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.255 1.822 . . . . 0.0 113.233 175.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -73.95 -28.33 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.261 -1.524 . . . . 0.0 111.719 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 C-N-CA 125.697 1.618 . . . . 0.0 113.766 176.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 119.721 -0.181 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.86 -20.93 26.76 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.031 0.933 . . . . 0.0 112.867 170.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -46.0 -35.91 4.74 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.33 -44.85 21.05 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.564 2.176 . . . . 0.0 113.293 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 26.7 tp -79.51 -36.73 38.1 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.796 0.725 . . . . 0.0 111.536 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.75 -34.36 78.14 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.362 0.665 . . . . 0.0 112.509 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -74.36 -31.8 62.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.736 0.698 . . . . 0.0 111.749 171.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.17 66.19 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.457 1.026 . . . . 0.0 111.962 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -66.85 -31.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.105 -0.997 . . . . 0.0 111.211 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -28.97 72.99 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.727 1.155 . . . . 0.0 113.417 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -49.84 63.27 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.539 1.17 . . . . 0.0 110.654 174.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.99 -41.29 91.74 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.813 0.845 . . . . 0.0 111.282 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.5 mt -65.51 -44.84 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.473 0.579 . . . . 0.0 110.898 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -34.23 81.71 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.644 1.116 . . . . 0.0 113.071 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 23.0 mt -68.66 -53.26 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 117.909 0.854 . . . . 0.0 109.888 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.82 -55.7 29.95 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.52 -22.97 64.49 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -168.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -53.41 -41.81 66.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.123 0.969 . . . . 0.0 112.294 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -80.95 -37.7 28.99 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.2 m -52.16 -24.72 7.51 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.08 -6.29 84.93 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 118.854 -0.97 . . . . 0.0 115.118 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -80.97 -39.27 26.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.24 1.52 . . . . 0.0 113.502 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -142.29 -32.12 0.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.651 1.18 . . . . 0.0 113.279 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -138.11 5.42 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.865 1.698 . . . . 0.0 114.137 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.7 166.45 24.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.216 1.806 . . . . 0.0 110.113 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.86 16.47 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 117.83 2.529 . . . . 0.0 117.83 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -153.01 10.6 0.46 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.722 1.609 . . . . 0.0 114.151 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -150.46 166.18 30.92 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.938 1.295 . . . . 0.0 112.312 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.61 135.83 47.27 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 126.134 1.774 . . . . 0.0 109.306 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 t -78.31 148.45 33.8 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.557 -0.715 . . . . 0.0 109.823 169.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -58.34 -28.09 64.77 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.986 -1.696 . . . . 0.0 115.32 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -79.67 -27.1 40.83 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.35 -38.36 55.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.283 1.833 . . . . 0.0 109.897 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.99 -39.79 91.03 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.95 2.1 . . . . 0.0 110.971 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.98 -34.79 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.065 -1.647 . . . . 0.0 113.372 170.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -66.53 -42.05 87.83 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.627 0.649 . . . . 0.0 110.672 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.79 -54.07 50.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.166 170.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.56 -46.71 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 120.359 1.436 . . . . 0.0 111.885 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.73 -31.76 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.282 0.492 . . . . 0.0 111.973 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -85.32 -35.55 21.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.426 1.09 . . . . 0.0 112.906 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.23 -63.99 0.96 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.468 1.907 . . . . 0.0 110.129 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -85.23 -63.41 1.33 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.737 -0.602 . . . . 0.0 111.082 -173.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 125.934 1.693 . . . . 0.0 109.615 -174.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 110.738 -0.097 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.68 -37.65 87.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.214 1.006 . . . . 0.0 112.687 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -24.13 67.53 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.925 0.89 . . . . 0.0 113.042 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 -41.27 24.07 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.321 0.648 . . . . 0.0 110.293 169.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.38 -41.44 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.338 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -68.96 -24.47 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 119.489 1.04 . . . . 0.0 113.074 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.43 -36.84 33.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.065 0.848 . . . . 0.0 111.958 169.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.55 -40.64 84.98 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.54 -0.725 . . . . 0.0 111.691 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -28.83 69.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.642 0.655 . . . . 0.0 111.869 176.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.93 -28.02 64.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.094 1.358 . . . . 0.0 112.47 170.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.6 -26.24 37.96 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -47.77 33.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 111.296 170.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.11 -1.48 26.27 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.28 1.432 . . . . 0.0 113.427 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -57.23 -23.4 47.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.11 1.364 . . . . 0.0 112.478 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -78.62 -8.49 58.69 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.004 1.721 . . . . 0.0 113.691 174.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -148.99 -107.62 0.08 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.096 1.359 . . . . 0.0 112.518 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 166.64 -15.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 129.62 3.168 . . . . 0.0 113.987 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -147.48 -29.23 0.35 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -160.17 153.08 21.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.939 0.895 . . . . 0.0 112.184 -169.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.54 116.74 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.194 1.797 . . . . 0.0 109.212 -172.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -77.59 155.57 31.4 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.209 1.004 . . . . 0.0 111.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.27 -46.66 36.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.367 1.467 . . . . 0.0 114.723 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -69.62 -32.92 71.92 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.049 0.84 . . . . 0.0 111.757 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -70.41 -36.41 74.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.088 0.955 . . . . 0.0 111.677 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.92 -45.51 93.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.929 0.891 . . . . 0.0 111.826 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.0 -35.46 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.27 -0.894 . . . . 0.0 111.774 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 43.4 m -59.09 -45.36 91.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.951 1.301 . . . . 0.0 110.709 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.2 -39.75 95.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.354 0.662 . . . . 0.0 112.456 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.43 -23.83 67.42 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.591 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.57 95.29 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.604 1.093 . . . . 0.0 111.656 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.4 81.97 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.061 0.93 . . . . 0.0 112.414 172.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.55 -39.66 94.15 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.39 0.676 . . . . 0.0 111.398 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.99 95.6 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.99 1.316 . . . . 0.0 112.266 172.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.3 tpt -65.1 -31.37 72.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.76 0.824 . . . . 0.0 112.304 174.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.26 -27.01 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.071 0.948 . . . . 0.0 112.814 172.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -77.5 49.12 0.7 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.387 0.994 . . . . 0.0 111.647 169.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -53.11 -25.3 12.57 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.268 1.827 . . . . 0.0 114.953 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.77 -39.1 73.44 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.38 1.072 . . . . 0.0 112.336 171.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.99 66.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.168 0.987 . . . . 0.0 112.305 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.89 1.11 24.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.403 1.481 . . . . 0.0 112.597 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt . . . . . 0 CA--C 1.545 0.776 0 CA-C-N 119.85 1.205 . . . . 0.0 113.234 169.75 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.184 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -54.28 -34.85 61.76 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.597 1.159 . . . . 0.0 113.741 -171.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -50.71 -29.37 11.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.937 1.695 . . . . 0.0 113.358 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -65.58 -22.82 66.72 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.697 1.199 . . . . 0.0 113.696 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 78.4 t -98.44 -40.46 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.668 1.587 . . . . 0.0 109.703 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.09 -38.0 89.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.946 1.298 . . . . 0.0 111.244 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.64 -18.0 64.54 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -70.83 -23.6 62.37 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.142 -0.974 . . . . 0.0 112.651 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 95.5 mt -76.57 -32.01 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.095 1.358 . . . . 0.0 111.231 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -53.36 -40.8 65.23 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.314 1.045 . . . . 0.0 112.664 171.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -72.13 -0.41 11.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.732 1.613 . . . . 0.0 113.917 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.87 -27.5 66.72 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.239 1.016 . . . . 0.0 112.175 170.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.25 44.64 27.84 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.304 0.954 . . . . 0.0 114.855 169.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.07 132.65 53.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.053 0.927 . . . . 0.0 113.475 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -82.68 -26.2 32.31 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.36 -23.6 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.017 0.826 . . . . 0.0 112.613 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 13.5 tpt -59.99 -46.03 90.79 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.536 0.607 . . . . 0.0 110.222 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -58.28 -33.77 69.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.293 1.037 . . . . 0.0 112.465 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -74.89 -41.19 60.23 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.708 0.685 . . . . 0.0 111.441 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.0 m -63.24 -43.07 99.07 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.33 1.452 . . . . 0.0 111.924 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.35 -33.41 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.818 0.847 . . . . 0.0 112.411 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.54 -56.03 5.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.492 0.717 . . . . 0.0 112.603 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -72.58 -31.26 65.09 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -172.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.17 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.949 1.3 . . . . 0.0 114.358 -173.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 124.514 1.125 . . . . 0.0 112.217 173.068 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.737 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . 0.496 ' H ' HD23 ' D' ' 192' ' ' LEU . 2.1 pt? -55.11 -42.29 72.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.744 1.217 . . . . 0.0 113.255 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -55.68 -34.64 65.22 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.571 1.148 . . . . 0.0 112.725 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.01 -22.76 66.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.02 0.928 . . . . 0.0 113.368 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.17 -43.14 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.543 1.537 . . . . 0.0 109.791 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.78 -32.01 72.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.5 1.52 . . . . 0.0 111.994 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.16 -36.2 77.02 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.344 -0.847 . . . . 0.0 112.124 171.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -68.89 -19.29 64.22 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.7 mt -89.89 -42.6 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.184 1.394 . . . . 0.0 110.833 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.85 -44.38 66.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.215 1.006 . . . . 0.0 113.056 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.55 -1.32 20.93 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -75.25 -25.88 58.4 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 137.32 -153.18 21.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.738 1.161 . . . . 0.0 114.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 78.75 143.71 0.08 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 129.534 3.134 . . . . 0.0 112.274 -175.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -144.71 14.42 1.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -169.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -83.65 -20.09 34.22 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.823 -1.173 . . . . 0.0 113.929 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.07 -56.32 23.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.183 0.993 . . . . 0.0 109.833 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -61.18 -28.85 69.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.843 1.257 . . . . 0.0 113.78 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.14 -37.34 72.27 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.531 1.06 . . . . 0.0 111.334 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 29.7 m -73.75 -46.58 44.94 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.194 0.998 . . . . 0.0 111.075 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.02 -40.33 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.598 1.159 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.94 -59.25 5.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.422 0.556 . . . . 0.0 111.859 173.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -62.99 -36.44 83.55 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.749 1.159 . . . . 0.0 113.052 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.61 65.17 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 122.984 0.513 . . . . 0.0 110.32 169.241 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -59.71 -29.42 5.77 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.13 -42.55 17.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.583 2.189 . . . . 0.0 112.395 170.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 tp -74.39 -39.04 62.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.724 0.693 . . . . 0.0 111.714 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.4 -43.41 88.54 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.401 1.081 . . . . 0.0 112.752 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -73.5 -13.81 61.11 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.77 -53.66 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.95 -1.094 . . . . 0.0 111.591 169.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 pt -61.46 -35.62 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.563 1.074 . . . . 0.0 112.063 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.51 67.93 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.894 1.235 . . . . 0.0 113.871 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -57.1 5.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.795 1.238 . . . . 0.0 109.62 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.11 -36.71 68.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.781 1.232 . . . . 0.0 111.805 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -44.5 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 118.757 0.708 . . . . 0.0 111.634 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.27 -34.18 51.88 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.382 -0.677 . . . . 0.0 112.888 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -57.28 -48.55 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.152 0.976 . . . . 0.0 110.643 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -70.3 -53.88 14.96 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.784 0.833 . . . . 0.0 112.093 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.54 -20.38 62.81 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -54.18 -39.09 66.31 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.8 0.84 . . . . 0.0 111.21 169.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -83.0 -30.46 28.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.369 1.468 . . . . 0.0 114.581 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -65.74 -46.44 78.84 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.183 0.901 . . . . 0.0 112.094 169.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.87 -13.83 69.72 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.356 1.455 . . . . 0.0 114.37 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 124.32 1.048 . . . . 0.0 111.07 169.679 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 119.633 -0.222 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -73.78 37.09 0.09 Allowed 'General case' 0 CA--C 1.559 1.302 0 O-C-N 120.025 -1.672 . . . . 0.0 114.856 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.86 158.63 43.85 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.377 2.271 . . . . 0.0 111.172 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 pp -160.36 164.31 32.55 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.722 1.609 . . . . 0.0 111.386 169.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 p -78.61 155.62 29.5 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.198 -1.564 . . . . 0.0 112.359 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -62.1 -24.25 67.01 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.759 -1.213 . . . . 0.0 113.862 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.08 -44.64 65.28 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.96 -1.087 . . . . 0.0 111.724 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.18 -31.33 71.65 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.672 0.789 . . . . 0.0 112.151 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD11 HD13 ' A' ' 60' ' ' LEU . 1.3 tm? -59.24 -48.98 79.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.189 1.396 . . . . 0.0 110.213 169.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.27 -32.7 74.39 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.729 -1.232 . . . . 0.0 111.799 175.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.57 -44.41 97.08 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.746 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.46 1.104 . . . . 0.0 110.779 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.83 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 117.868 0.304 . . . . 0.0 111.148 -176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -76.08 -23.54 55.0 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.614 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -87.58 -39.14 15.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 171.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -86.48 -56.53 3.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.111 0.869 . . . . 0.0 110.875 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.72 48.08 1.34 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.5 1.52 . . . . 0.0 110.747 -169.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 128.573 2.749 . . . . 0.0 114.008 -169.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 118.623 -0.703 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -54.8 -33.59 61.68 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.148 1.34 . . . . 0.0 113.337 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -28.14 69.58 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.576 1.15 . . . . 0.0 113.479 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -80.85 -42.02 22.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.169 0.988 . . . . 0.0 110.299 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -64.33 -36.7 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.469 -0.769 . . . . 0.0 111.763 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.22 -31.13 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.784 1.174 . . . . 0.0 112.503 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -74.79 -31.39 61.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.226 0.921 . . . . 0.0 112.044 173.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -67.08 -40.33 86.96 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.465 -0.772 . . . . 0.0 110.995 169.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -64.18 -35.04 79.51 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.48 1.112 . . . . 0.0 111.755 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.6 -29.04 69.59 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.887 1.275 . . . . 0.0 113.426 169.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.67 -26.93 37.29 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.94 -1.1 . . . . 0.0 112.804 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 34' ' ' LEU . 1.9 mt -72.83 -36.09 67.41 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.308 -0.87 . . . . 0.0 110.384 169.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.16 -28.08 69.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.023 1.329 . . . . 0.0 112.099 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.04 -29.34 70.23 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.529 -0.732 . . . . 0.0 112.152 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -76.16 -35.8 59.03 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.689 0.677 . . . . 0.0 112.479 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -157.67 121.41 4.11 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.55 1.54 . . . . 0.0 110.611 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.27 130.59 46.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.418 1.487 . . . . 0.0 113.503 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 72.3 -43.55 0.57 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.497 2.719 . . . . 0.0 114.186 169.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -124.32 115.56 21.2 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.233 2.213 . . . . 0.0 108.651 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.72 118.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 125.277 1.431 . . . . 0.0 108.189 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -83.67 150.28 25.97 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.267 1.027 . . . . 0.0 110.449 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.61 -42.62 62.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.175 1.39 . . . . 0.0 114.567 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.54 -42.92 95.44 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 111.061 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.47 -27.09 62.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.848 1.259 . . . . 0.0 112.324 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.65 -45.53 78.71 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.461 1.104 . . . . 0.0 111.04 169.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.1 mt -70.17 -32.59 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.209 -0.932 . . . . 0.0 111.362 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.9 m -58.19 -38.53 76.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.387 1.075 . . . . 0.0 111.315 172.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -69.78 -41.6 74.92 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.56 0.744 . . . . 0.0 112.439 172.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.21 -27.8 66.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.351 0.978 . . . . 0.0 111.606 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.67 -27.52 73.28 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.079 1.323 . . . . 0.0 114.147 171.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.24 -44.04 18.35 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.099 1.449 . . . . 0.0 110.788 169.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -53.71 -43.46 69.02 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.072 1.349 . . . . 0.0 111.618 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.95 -27.66 45.3 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.687 1.595 . . . . 0.0 114.019 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -80.27 -31.47 38.36 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.578 1.151 . . . . 0.0 112.648 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.32 -35.83 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.145 0.978 . . . . 0.0 110.163 170.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.81 39.33 0.07 Allowed 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.543 2.337 . . . . 0.0 112.987 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.77 -22.97 10.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 128.589 2.756 . . . . 0.0 118.138 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.23 -19.13 65.82 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 121.368 1.894 . . . . 0.0 112.635 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.6 64.23 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.269 0.94 . . . . 0.0 113.414 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.67 -18.99 26.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.063 1.345 . . . . 0.0 111.536 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -89.53 -44.66 9.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.665 1.586 . . . . 0.0 112.034 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 C-N-CA 126.439 1.971 . . . . 0.0 112.283 -173.182 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.77 -13.89 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.1 p -49.41 -42.4 64.86 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -65.56 -27.56 53.58 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.926 2.417 . . . . 0.0 113.878 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 tp -82.64 -38.77 23.02 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.578 1.081 . . . . 0.0 112.169 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.14 -36.07 76.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.306 1.042 . . . . 0.0 112.492 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -72.17 -19.53 61.74 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 172.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.02 -54.47 5.04 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.553 1.069 . . . . 0.0 112.202 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.44 -35.88 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.42 -0.8 . . . . 0.0 111.145 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.7 -24.16 67.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 121.489 -0.757 . . . . 0.0 113.166 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -52.55 19.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.947 1.374 . . . . 0.0 109.551 176.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.58 -42.49 83.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.842 0.857 . . . . 0.0 111.241 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.27 -43.86 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.545 0.611 . . . . 0.0 111.08 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.75 -31.47 73.17 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.51 1.052 . . . . 0.0 112.897 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mt -69.01 -54.99 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.31 -59.1 5.64 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.793 1.237 . . . . 0.0 113.676 -172.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -69.94 -17.21 63.31 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -169.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.54 -38.35 80.8 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.734 -1.229 . . . . 0.0 112.673 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.403 ' CZ ' ' HA ' ' B' ' 37' ' ' LEU . 95.7 m-85 -79.02 -33.28 45.02 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -174.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -74.74 -40.41 61.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.071 0.851 . . . . 0.0 110.777 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.32 -16.06 13.45 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 126.237 1.875 . . . . 0.0 114.398 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.18 -35.79 70.02 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.124 1.369 . . . . 0.0 112.033 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -127.18 -24.54 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.235 1.414 . . . . 0.0 114.323 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.87 165.26 38.76 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-N 119.96 1.255 . . . . 0.0 114.664 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -74.58 -9.14 58.28 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.96 151.16 26.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.197 1.399 . . . . 0.0 113.547 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 33.44 1.82 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.137 1.775 . . . . 0.0 113.418 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -124.73 135.56 53.11 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.167 1.787 . . . . 0.0 110.123 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -108.23 129.75 55.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.538 1.135 . . . . 0.0 111.191 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -79.47 161.34 26.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.696 0.798 . . . . 0.0 112.457 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -48.97 -52.5 24.5 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.487 -1.383 . . . . 0.0 113.358 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -66.72 -31.28 71.84 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.804 1.642 . . . . 0.0 113.135 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.25 -35.68 58.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.441 1.896 . . . . 0.0 110.624 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.42 -42.09 75.48 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.558 1.143 . . . . 0.0 110.074 169.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -60.68 -36.33 78.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.734 -1.229 . . . . 0.0 111.711 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.02 -45.32 89.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.328 1.051 . . . . 0.0 112.141 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.403 ' HA ' ' CZ ' ' B' ' 19' ' ' TYR . 6.4 tt -52.81 -49.05 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.457 1.103 . . . . 0.0 111.927 170.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.92 -54.06 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 118.433 0.56 . . . . 0.0 111.812 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -65.07 -29.35 70.23 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -86.33 -46.6 10.14 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -85.52 -44.62 12.53 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.94 0.791 . . . . 0.0 111.231 -172.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.43 -69.73 0.56 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.305 0.957 . . . . 0.0 108.433 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.486 1.334 1 C-N-CA 132.931 4.493 . . . . 0.0 107.895 -176.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 CA--C 1.538 0.492 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.03 -32.79 72.4 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.834 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.59 -27.63 68.77 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.704 1.202 . . . . 0.0 113.324 169.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.77 -39.78 26.25 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.607 0.763 . . . . 0.0 110.768 170.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.8 -37.55 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.102 -0.952 . . . . 0.0 112.167 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.78 -30.54 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.416 1.462 . . . . 0.0 112.278 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -73.4 -38.14 65.71 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.479 -0.763 . . . . 0.0 112.094 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.35 -37.08 84.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.326 -0.859 . . . . 0.0 111.803 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -60.33 -39.05 85.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.013 0.925 . . . . 0.0 111.319 170.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.86 -31.61 72.93 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.348 1.059 . . . . 0.0 113.581 170.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.75 -20.28 58.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.321 1.048 . . . . 0.0 113.741 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -81.08 -43.19 19.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.477 1.111 . . . . 0.0 110.359 169.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.64 -18.92 61.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.02 1.728 . . . . 0.0 113.372 171.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -53.84 -33.2 55.53 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.155 1.382 . . . . 0.0 112.327 170.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.51 -42.08 68.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.943 0.897 . . . . 0.0 112.682 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -163.2 133.78 4.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.331 1.852 . . . . 0.0 110.793 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.58 136.17 47.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.884 0.873 . . . . 0.0 113.009 -174.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 76.04 -28.02 0.18 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 129.194 2.998 . . . . 0.0 113.075 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -153.69 140.9 19.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.0 1.72 . . . . 0.0 110.55 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.39 130.44 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.712 2.005 . . . . 0.0 108.802 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.94 159.26 26.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.844 0.83 . . . . 0.0 112.699 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.13 -56.15 1.51 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.862 2.465 . . . . 0.0 114.714 171.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.26 -35.79 82.0 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.485 1.039 . . . . 0.0 111.836 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.82 -32.68 65.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.63 1.172 . . . . 0.0 112.051 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.59 -44.46 90.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.063 0.945 . . . . 0.0 111.358 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 49.6 mm -63.87 -42.07 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 O-C-N 121.617 -0.677 . . . . 0.0 111.012 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.7 m -59.09 -45.1 91.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.236 1.414 . . . . 0.0 111.048 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.44 -41.58 96.48 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.172 0.589 . . . . 0.0 112.27 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.33 -28.78 68.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.291 0.95 . . . . 0.0 112.198 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.7 91.4 Favored Glycine 0 N--CA 1.468 0.812 0 CA-C-N 119.026 0.83 . . . . 0.0 112.589 170.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.54 95.11 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.926 0.863 . . . . 0.0 112.157 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.29 -46.4 88.65 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.683 1.193 . . . . 0.0 110.963 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.4 72.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.28 1.032 . . . . 0.0 112.545 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.6 ttt -69.28 -24.24 63.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.977 0.911 . . . . 0.0 112.78 175.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.25 -25.33 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.046 0.839 . . . . 0.0 111.205 173.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . 0.402 ' HA ' ' CE1' ' C' ' 200' ' ' TYR . 88.3 m-85 -73.38 44.41 0.15 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.693 1.235 . . . . 0.0 110.876 168.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.04 -14.63 50.45 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.793 2.037 . . . . 0.0 115.132 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -54.99 -34.22 63.21 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.821 1.191 . . . . 0.0 111.693 169.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.98 52.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.537 1.535 . . . . 0.0 114.536 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 70.2 mt -124.75 -19.24 5.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.0 2.12 . . . . 0.0 112.97 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 125.954 1.701 . . . . 0.0 112.196 174.914 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.274 0 N-CA-C 115.627 1.011 . . . . 0.0 115.627 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.24 -69.2 0.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.054 1.342 . . . . 0.0 110.112 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -57.08 -29.26 63.32 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.336 1.055 . . . . 0.0 112.399 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.87 -23.7 67.45 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 63.2 t -95.95 -34.06 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.399 1.08 . . . . 0.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.57 -29.42 65.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.189 1.396 . . . . 0.0 111.798 173.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -57.38 -30.64 65.06 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.774 1.23 . . . . 0.0 112.582 170.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.48 -20.81 66.42 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.779 0.832 . . . . 0.0 112.732 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 23.9 mt -88.05 -45.59 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.096 1.359 . . . . 0.0 111.142 170.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' B' ' 84' ' ' TYR . 13.3 t80 -54.86 -39.89 69.12 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 177.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.92 -9.16 57.26 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -98.92 -46.6 5.57 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.358 1.463 . . . . 0.0 109.82 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 66.91 -153.69 52.76 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.317 1.437 . . . . 0.0 115.3 169.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -159.52 156.87 28.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.166 1.786 . . . . 0.0 110.605 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -95.47 -23.59 17.05 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.609 1.564 . . . . 0.0 112.36 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -76.03 -21.43 56.85 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.452 -0.78 . . . . 0.0 113.028 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 51.7 tpp -54.81 -46.0 74.45 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.331 1.052 . . . . 0.0 110.547 171.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -57.87 -39.73 78.51 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.445 1.098 . . . . 0.0 112.195 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -75.52 -33.77 60.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.099 0.96 . . . . 0.0 112.405 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 44.1 m -72.86 -38.13 67.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.298 1.039 . . . . 0.0 112.077 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.21 -45.76 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.745 0.702 . . . . 0.0 109.716 174.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.45 -48.95 79.68 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.507 -0.746 . . . . 0.0 112.179 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -49.45 -56.27 10.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.94 1.296 . . . . 0.0 111.278 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.72 -21.9 66.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 13.3 m95 . . . . . 0 CA--C 1.542 0.665 0 CA-C-N 118.683 0.674 . . . . 0.0 112.475 170.514 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.335 0 N-CA-C 115.272 0.869 . . . . 0.0 115.272 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.87 -41.61 71.05 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.975 1.31 . . . . 0.0 113.121 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -57.63 -24.95 59.25 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 125.384 1.474 . . . . 0.0 113.719 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.62 -23.12 64.4 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.79 -38.68 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.455 1.102 . . . . 0.0 109.262 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.76 -36.21 82.34 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.749 1.62 . . . . 0.0 111.089 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.7 -36.19 69.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.397 1.079 . . . . 0.0 112.934 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.61 -24.27 66.57 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.129 -0.982 . . . . 0.0 112.677 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 18.6 mm -83.63 -39.43 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.78 1.232 . . . . 0.0 111.595 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -66.8 -39.01 87.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.637 0.732 . . . . 0.0 111.979 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.72 0.36 27.04 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.389 1.076 . . . . 0.0 113.523 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.97 -22.32 64.11 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.781 0.832 . . . . 0.0 112.088 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 94.77 148.49 24.21 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.943 1.735 . . . . 0.0 114.342 171.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -163.55 174.42 11.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.549 1.94 . . . . 0.0 110.527 174.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -133.62 -15.0 2.45 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.321 1.849 . . . . 0.0 113.344 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.48 -35.79 73.47 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.516 1.053 . . . . 0.0 113.591 -172.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 56.3 ttm -46.42 -46.71 18.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.704 1.202 . . . . 0.0 112.173 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.52 -22.41 66.71 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.067 0.947 . . . . 0.0 113.118 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.517 1.127 . . . . 0.0 111.139 171.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 77.2 m -65.23 -43.24 92.05 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.81 1.644 . . . . 0.0 112.726 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 27.6 mm -64.91 -41.07 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.741 0.701 . . . . 0.0 110.87 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.08 -50.14 74.9 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.862 0.465 . . . . 0.0 111.219 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -55.51 -55.75 28.26 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.273 -0.892 . . . . 0.0 112.118 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.22 -28.01 66.27 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.598 1.09 . . . . 0.0 113.719 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 72.8 t90 . . . . . 0 CA--C 1.543 0.686 0 O-C-N 121.432 -0.792 . . . . 0.0 112.646 172.47 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -38.91 -50.2 4.04 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.548 2.339 . . . . 0.0 117.029 -169.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.66 -33.85 43.47 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 121.911 1.718 . . . . 0.0 113.095 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.73 -37.07 27.87 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.173 0.897 . . . . 0.0 112.687 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -60.73 -34.79 74.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.531 1.932 . . . . 0.0 112.405 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -72.51 -27.33 62.19 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.61 -48.04 13.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.554 1.07 . . . . 0.0 112.349 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -63.95 -34.83 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 121.383 -0.823 . . . . 0.0 110.883 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -24.23 66.93 Favored Glycine 0 C--N 1.345 1.049 0 C-N-CA 124.763 1.173 . . . . 0.0 113.178 171.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -51.65 20.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.989 1.395 . . . . 0.0 110.161 174.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.7 -40.63 79.96 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.13 -51.99 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.526 0.73 . . . . 0.0 110.481 172.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.87 -27.22 73.26 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.329 0.966 . . . . 0.0 114.154 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.9 mt -71.8 -57.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.445 1.098 . . . . 0.0 110.386 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -59.6 -46.01 90.2 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.406 1.003 . . . . 0.0 111.685 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -73.86 -11.68 60.44 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.29 -47.0 71.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 110.643 169.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.96 -36.71 27.67 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.106 1.362 . . . . 0.0 113.879 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -71.02 -22.56 62.13 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.807 -1.183 . . . . 0.0 112.575 174.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.36 76.72 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.255 0.931 . . . . 0.0 113.165 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt . . . . . 0 CA--C 1.545 0.782 0 CA-C-N 118.586 1.193 . . . . 0.0 111.267 173.208 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 tttm . . . . . 0 CA--C 1.548 0.899 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -90.87 6.39 44.65 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 120.416 -1.427 . . . . 0.0 114.557 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.9 165.34 26.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.483 1.913 . . . . 0.0 112.516 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.8 mt -130.46 138.0 50.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.829 1.651 . . . . 0.0 108.589 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 m -77.61 149.96 34.71 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.956 -1.09 . . . . 0.0 109.041 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -57.88 -37.57 74.2 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.408 -1.432 . . . . 0.0 113.825 -170.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -68.34 -26.82 65.79 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -79.13 -35.27 42.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.36 1.064 . . . . 0.0 111.087 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -61.1 -44.07 97.91 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.078 0.951 . . . . 0.0 110.011 169.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.48 -41.83 77.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.685 -1.26 . . . . 0.0 111.929 171.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -50.23 74.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.636 0.774 . . . . 0.0 111.418 172.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.87 -52.28 50.72 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.263 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.65 -48.65 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.503 1.047 . . . . 0.0 111.911 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.55 -27.16 66.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.863 0.465 . . . . 0.0 112.201 -176.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -52.89 5.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.995 0.816 . . . . 0.0 112.894 174.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.3 -42.34 54.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.508 -169.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -84.16 -76.28 0.31 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.127 -0.939 . . . . 0.0 109.246 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.485 1.283 0 C-N-CA 131.373 3.869 . . . . 0.0 108.898 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.47 -16.97 64.51 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 120.799 -1.188 . . . . 0.0 111.973 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 -27.44 68.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.229 1.412 . . . . 0.0 113.028 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.49 -40.54 25.94 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.162 0.585 . . . . 0.0 109.803 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.33 -28.36 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.388 -0.82 . . . . 0.0 112.607 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.16 -36.27 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-N 120.985 1.721 . . . . 0.0 112.209 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.57 -43.94 75.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.915 0.78 . . . . 0.0 111.551 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.07 -40.56 96.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.862 0.865 . . . . 0.0 112.37 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 ttp -58.54 -41.84 86.45 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.031 0.932 . . . . 0.0 111.05 172.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.3 -29.2 63.63 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.486 0.714 . . . . 0.0 112.846 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -73.02 -24.76 60.77 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.98 1.312 . . . . 0.0 112.653 171.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -80.47 -44.6 18.93 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.588 . . . . 0.0 111.418 170.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -61.21 -14.79 28.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.42 1.888 . . . . 0.0 113.772 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -49.63 -21.96 1.18 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.049 2.139 . . . . 0.0 112.745 169.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.85 -43.49 38.8 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.208 1.803 . . . . 0.0 113.91 169.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -156.66 -108.33 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.024 1.33 . . . . 0.0 112.345 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -134.87 -43.06 0.74 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.179 1.354 . . . . 0.0 114.651 -169.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -138.04 0.49 2.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.281 1.832 . . . . 0.0 112.128 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.21 150.8 43.16 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.045 1.738 . . . . 0.0 113.822 -169.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 t -107.51 139.97 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 128.763 2.825 . . . . 0.0 107.552 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -107.88 154.09 22.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.875 0.87 . . . . 0.0 111.519 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.88 -49.17 66.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -63.05 -39.85 95.97 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.896 0.771 . . . . 0.0 111.43 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -74.65 -31.58 61.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.873 1.269 . . . . 0.0 111.29 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.16 -44.97 95.44 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.97 0.908 . . . . 0.0 111.045 169.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.56 -38.11 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.534 -0.729 . . . . 0.0 111.3 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -57.91 -43.93 86.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.147 0.979 . . . . 0.0 110.891 172.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.63 -37.16 85.78 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 174.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.95 -26.73 68.96 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.852 1.205 . . . . 0.0 111.699 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.3 -35.82 77.52 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.036 0.827 . . . . 0.0 112.983 169.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -42.27 78.28 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.419 1.109 . . . . 0.0 111.526 170.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.43 -44.03 96.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 110.494 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -33.16 74.68 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.13 1.372 . . . . 0.0 113.507 172.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -68.84 -38.92 80.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.961 0.904 . . . . 0.0 111.625 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.94 -35.22 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.095 0.958 . . . . 0.0 112.059 170.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.93 42.42 0.07 Allowed 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 125.566 1.546 . . . . 0.0 112.382 169.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -52.18 -26.29 11.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.192 2.997 . . . . 0.0 116.649 -169.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.861 1.209 . . . . 0.0 111.776 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.28 -14.91 62.37 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.1 mt -102.8 6.05 39.07 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.824 2.05 . . . . 0.0 112.505 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.42 -38.74 5.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.448 1.499 . . . . 0.0 111.778 171.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 C-N-CA 125.701 1.619 . . . . 0.0 114.041 175.612 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 75.78 -51.37 0.63 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 129.612 3.165 . . . . 0.0 112.644 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -47.09 -45.81 53.5 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.563 1.545 . . . . 0.0 114.875 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.28 -43.92 21.24 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.956 2.437 . . . . 0.0 113.553 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 tp -78.3 -39.51 39.57 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.021 0.828 . . . . 0.0 111.277 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.44 -37.43 85.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.863 1.265 . . . . 0.0 112.535 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -74.06 -29.52 61.94 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.446 0.566 . . . . 0.0 112.339 172.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.81 41.45 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.566 1.075 . . . . 0.0 112.107 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -64.34 -34.27 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.143 -0.973 . . . . 0.0 110.514 172.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.84 -28.44 72.67 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.78 1.181 . . . . 0.0 113.801 171.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -51.87 53.99 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.177 1.489 . . . . 0.0 110.13 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.23 -41.26 83.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.148 0.979 . . . . 0.0 111.509 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.42 -42.66 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 118.534 0.606 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.16 -36.09 64.02 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.186 0.898 . . . . 0.0 113.293 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.88 -42.4 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.358 1.063 . . . . 0.0 110.906 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -76.4 -51.64 11.45 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -175.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -70.01 -25.07 63.42 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -169.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -54.15 -44.32 71.34 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.2 1.0 . . . . 0.0 112.681 171.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -81.5 -27.2 34.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.692 1.197 . . . . 0.0 113.667 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -64.64 -50.24 67.89 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.288 -0.882 . . . . 0.0 112.009 171.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.27 -9.36 87.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.684 1.135 . . . . 0.0 114.005 -175.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -57.94 -38.75 76.52 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.817 1.309 . . . . 0.0 113.048 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -108.64 3.84 23.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.082 1.353 . . . . 0.0 113.09 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.51 11.62 79.75 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.59 1.091 . . . . 0.0 115.135 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.22 172.25 13.85 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.073 1.349 . . . . 0.0 112.347 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 176.91 0.87 Allowed 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.998 -1.064 . . . . 0.0 112.377 170.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -67.82 73.06 0.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.638 1.975 . . . . 0.0 112.813 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -161.05 148.12 15.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.534 2.734 . . . . 0.0 108.671 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -121.43 133.05 55.06 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.581 1.153 . . . . 0.0 111.384 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.5 p -80.89 166.22 21.09 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.13 -0.981 . . . . 0.0 110.164 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -56.07 -42.87 77.36 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.323 -1.486 . . . . 0.0 113.009 -171.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -35.57 79.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.194 0.998 . . . . 0.0 113.441 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -75.18 -36.44 61.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.461 0.705 . . . . 0.0 110.874 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.11 -47.79 84.63 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.627 1.171 . . . . 0.0 109.949 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -56.6 -40.04 74.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.592 1.087 . . . . 0.0 112.048 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.49 -42.44 98.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.04 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.11 -59.28 5.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.921 0.782 . . . . 0.0 110.868 169.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.9 pt -68.65 -27.85 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -171.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -79.4 -39.36 32.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.632 1.105 . . . . 0.0 112.355 172.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -31.15 21.2 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.759 1.618 . . . . 0.0 112.874 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -85.7 -44.34 12.64 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.7 -1.25 . . . . 0.0 112.848 177.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.51 -6.85 24.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -173.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p . . . . . 0 N--CA 1.478 0.96 0 C-N-CA 128.443 2.697 . . . . 0.0 114.744 169.848 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.96 -23.03 67.21 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.062 -1.649 . . . . 0.0 112.604 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.13 72.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.68 1.192 . . . . 0.0 112.707 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -81.56 -31.84 32.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.756 0.822 . . . . 0.0 110.689 169.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.2 mm -61.34 -45.32 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.558 1.072 . . . . 0.0 111.82 172.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.98 -26.88 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.535 1.061 . . . . 0.0 112.973 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.07 -30.91 44.24 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.0 0.818 . . . . 0.0 112.703 169.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -41.67 96.07 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.947 1.248 . . . . 0.0 110.451 169.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.8 mtp -59.86 -39.42 85.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.933 0.893 . . . . 0.0 111.403 174.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.58 -29.33 62.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.021 1.328 . . . . 0.0 112.572 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.77 -25.4 49.07 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.333 1.053 . . . . 0.0 112.841 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.46 -51.18 25.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.25 1.42 . . . . 0.0 109.304 169.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.98 -18.52 60.7 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.833 1.653 . . . . 0.0 114.337 176.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -52.68 -23.18 6.15 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.337 1.455 . . . . 0.0 112.894 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -59.4 -24.47 63.48 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -152.08 -101.53 0.05 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.423 1.489 . . . . 0.0 111.794 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.79 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -136.54 -5.4 2.01 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.182 0.993 . . . . 0.0 113.622 -176.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -161.41 162.32 30.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.185 1.394 . . . . 0.0 112.395 -169.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.1 t -117.75 112.09 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 126.612 1.965 . . . . 0.0 107.816 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -81.13 155.62 26.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 122.521 0.328 . . . . 0.0 110.415 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -50.56 -47.15 57.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -57.2 -43.09 82.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.968 0.804 . . . . 0.0 111.758 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -74.26 -29.72 61.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.755 0.822 . . . . 0.0 112.037 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.26 -42.17 96.59 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.635 -0.666 . . . . 0.0 111.905 170.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.82 -43.58 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.286 -0.884 . . . . 0.0 111.083 174.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.6 m -60.47 -38.53 84.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.972 0.909 . . . . 0.0 111.915 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.24 -39.34 92.57 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.791 . . . . 0.0 112.488 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.63 1.105 . . . . 0.0 111.891 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.74 94.2 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.92 0.771 . . . . 0.0 111.958 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.38 86.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.386 1.093 . . . . 0.0 112.04 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 20.3 tp -56.78 -42.75 79.98 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.418 1.487 . . . . 0.0 111.578 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.24 -36.53 75.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.57 0.748 . . . . 0.0 112.679 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.5 mtm -71.14 -27.42 63.55 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.458 1.026 . . . . 0.0 113.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.24 -43.17 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.364 0.984 . . . . 0.0 109.267 169.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -74.09 39.97 0.12 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.288 2.235 . . . . 0.0 113.29 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -52.84 -23.99 8.11 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.866 2.466 . . . . 0.0 116.194 -169.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.52 -31.14 72.05 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.169 1.349 . . . . 0.0 112.253 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.68 68.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.525 0.73 . . . . 0.0 112.754 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.93 -43.26 25.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.239 1.416 . . . . 0.0 110.097 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 124.369 1.068 . . . . 0.0 112.366 175.855 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.141 0 N-CA-C 112.163 -0.375 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.9 -33.82 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.813 1.245 . . . . 0.0 113.015 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -58.84 -30.67 67.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.979 1.312 . . . . 0.0 113.0 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -72.33 -13.17 61.42 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.694 1.134 . . . . 0.0 113.075 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 -47.36 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.747 1.219 . . . . 0.0 109.358 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.5 mt -68.22 -28.56 67.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.261 1.424 . . . . 0.0 113.978 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.0 -29.98 70.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.549 1.068 . . . . 0.0 111.911 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.31 -31.45 69.94 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.144 -0.973 . . . . 0.0 111.75 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.2 mp -77.2 -39.28 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.28 1.432 . . . . 0.0 111.145 172.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -54.84 -43.82 73.38 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.306 -0.871 . . . . 0.0 111.992 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.5 -0.35 37.07 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.11 -33.35 59.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.124 0.97 . . . . 0.0 112.533 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 166.5 155.35 8.85 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.819 1.2 . . . . 0.0 115.124 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -172.5 157.91 4.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.909 2.484 . . . . 0.0 110.757 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -159.45 -61.45 0.07 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.546 0.738 . . . . 0.0 112.36 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.95 -23.23 65.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.638 0.775 . . . . 0.0 112.831 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 55.1 ttm -41.16 -46.01 2.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.534 1.934 . . . . 0.0 113.611 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.2 -30.77 25.5 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.222 1.009 . . . . 0.0 112.933 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -83.4 -49.44 9.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 -173.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 99.1 m -61.03 -45.28 95.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.857 1.263 . . . . 0.0 112.831 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 39.1 pt -59.52 -30.59 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.156 0.983 . . . . 0.0 113.493 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -77.58 -45.64 24.62 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.634 0.774 . . . . 0.0 110.751 173.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -58.37 -48.06 81.82 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.169 -0.957 . . . . 0.0 112.12 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.59 70.99 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.811 0.845 . . . . 0.0 113.217 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 84.1 t90 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 123.408 0.683 . . . . 0.0 111.838 170.557 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -55.82 -33.96 64.92 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.475 1.637 . . . . 0.0 113.746 -171.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.3 ptp -50.22 -30.97 12.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.008 1.323 . . . . 0.0 114.432 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -72.07 -20.91 61.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.06 -39.61 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.254 1.422 . . . . 0.0 108.844 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.93 -38.99 83.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.109 1.364 . . . . 0.0 110.703 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -58.26 -29.88 66.14 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.209 -0.932 . . . . 0.0 112.709 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -63.82 -18.57 64.25 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.993 -1.692 . . . . 0.0 113.404 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 16.8 mt -81.83 -34.35 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.701 1.2 . . . . 0.0 111.75 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -38.12 84.93 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.816 -1.178 . . . . 0.0 110.274 172.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.72 -0.5 15.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.915 1.686 . . . . 0.0 113.576 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -109.08 -43.41 4.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.552 1.541 . . . . 0.0 112.925 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -147.22 137.7 6.8 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.35 0.976 . . . . 0.0 114.341 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -173.9 120.2 0.29 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.526 2.33 . . . . 0.0 110.021 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -167.9 -58.58 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.646 1.178 . . . . 0.0 111.628 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -72.18 -26.9 62.25 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.9 ttm -53.26 -54.2 39.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.414 0.552 . . . . 0.0 109.663 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -64.49 -29.54 70.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.204 1.001 . . . . 0.0 112.458 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.969 0.908 . . . . 0.0 112.102 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 37.7 m -78.19 -42.35 31.76 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.612 1.565 . . . . 0.0 111.943 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.29 -46.93 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 118.969 0.804 . . . . 0.0 110.513 172.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -54.71 -59.51 4.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 111.755 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.2 -37.74 86.47 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.882 -1.136 . . . . 0.0 113.278 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.73 78.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 18.5 m95 . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 123.559 0.743 . . . . 0.0 112.523 172.335 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 tpt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.32 14.33 2.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.58 1.952 . . . . 0.0 116.25 -168.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -41.99 -48.45 11.01 Favored Pre-proline 0 N--CA 1.471 0.609 0 N-CA-C 116.725 2.12 . . . . 0.0 116.725 -170.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -63.58 -44.47 13.98 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.203 1.935 . . . . 0.0 112.547 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.6 tp -78.95 -39.24 34.99 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.187 0.449 . . . . 0.0 111.436 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -62.0 -37.78 86.14 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.924 0.49 . . . . 0.0 110.851 -177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -74.79 -27.82 60.47 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.33 -45.53 62.77 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.551 1.069 . . . . 0.0 112.132 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.0 pt -66.13 -28.25 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 CA-C-N 119.331 0.969 . . . . 0.0 111.3 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.21 -30.2 76.34 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.168 1.366 . . . . 0.0 113.359 170.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -50.51 69.63 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.01 1.405 . . . . 0.0 110.03 172.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.02 -39.88 83.29 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.994 0.917 . . . . 0.0 111.74 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.09 -49.27 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 119.693 1.133 . . . . 0.0 111.317 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -26.83 73.65 Favored Glycine 0 C--N 1.341 0.82 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.86 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mt -70.69 -57.21 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.343 1.071 . . . . 0.0 109.587 168.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.55 -48.23 82.45 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.341 1.056 . . . . 0.0 113.158 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -72.76 -14.34 61.52 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -169.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -57.15 -43.92 82.93 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 121.066 -1.021 . . . . 0.0 111.475 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 93.5 m-85 -80.65 -34.15 35.1 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.703 1.201 . . . . 0.0 112.937 -170.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.7 p -72.08 -38.85 69.31 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.167 -0.958 . . . . 0.0 110.963 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.82 -12.29 20.57 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 126.317 1.913 . . . . 0.0 114.665 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.81 -22.32 65.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.432 1.093 . . . . 0.0 112.962 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -128.12 -23.76 3.25 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.39 -172.58 45.6 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 120.077 1.308 . . . . 0.0 115.641 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.72 -4.4 37.22 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -59.38 152.99 20.01 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -169.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.465 ' CD2' HD21 ' A' ' 69' ' ' ASN . 0.4 OUTLIER -96.27 22.16 8.09 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.036 2.135 . . . . 0.0 113.671 178.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -127.61 158.16 38.26 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.083 2.153 . . . . 0.0 111.046 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -125.31 130.17 51.45 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.722 1.209 . . . . 0.0 110.204 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -76.53 155.23 33.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.245 0.618 . . . . 0.0 109.756 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -52.78 -37.9 60.31 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -169.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -77.98 -28.09 49.28 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -75.37 -34.93 61.16 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.674 1.189 . . . . 0.0 111.247 175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.406 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.4 tm? -61.3 -46.46 90.23 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.705 1.602 . . . . 0.0 109.243 169.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.56 -37.03 84.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.032 -1.043 . . . . 0.0 112.609 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.25 -49.51 76.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.488 170.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 8.6 tt -51.84 -51.04 59.52 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.916 1.234 . . . . 0.0 110.77 171.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mt -59.03 -50.24 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.297 0.953 . . . . 0.0 111.962 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -67.85 -33.11 74.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.485 1.039 . . . . 0.0 113.314 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -84.99 -27.23 26.59 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -83.9 -51.99 6.72 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.049 0.84 . . . . 0.0 111.524 172.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -101.26 79.83 2.03 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.243 1.817 . . . . 0.0 108.161 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.6 p -70.86 68.07 0.41 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.668 1.987 . . . . 0.0 113.882 -170.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 pt -76.1 35.58 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 126.48 1.912 . . . . 0.0 113.481 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.61 124.8 34.73 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.873 1.225 . . . . 0.0 112.263 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m 74.13 -2.79 2.7 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.04 2.136 . . . . 0.0 114.473 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -79.73 159.86 26.45 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.809 -1.182 . . . . 0.0 111.94 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mp -75.61 -9.53 58.66 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.237 1.415 . . . . 0.0 113.815 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -68.87 -5.19 19.62 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.22 -28.89 68.37 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 121.45 1.932 . . . . 0.0 112.845 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.89 -27.19 68.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.464 1.106 . . . . 0.0 112.937 169.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -81.02 -34.76 32.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.622 0.769 . . . . 0.0 109.961 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.3 mm -65.53 -39.46 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.215 176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.12 -26.82 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 CA-C-N 120.598 1.545 . . . . 0.0 112.657 174.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -77.92 -38.15 46.22 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 118.79 0.723 . . . . 0.0 112.402 169.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -60.6 -40.0 90.2 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.251 1.02 . . . . 0.0 110.903 173.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 62.5 ttp -59.76 -43.55 94.25 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.116 1.766 . . . . 0.0 111.339 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.68 -33.17 75.32 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.77 1.168 . . . . 0.0 113.184 172.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -68.72 -36.64 78.68 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.16 0.891 . . . . 0.0 112.458 172.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.98 -46.29 57.83 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.266 1.426 . . . . 0.0 111.743 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.64 -16.83 63.38 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.318 1.847 . . . . 0.0 113.251 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -62.61 -20.46 64.78 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.404 -0.81 . . . . 0.0 112.642 175.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -71.54 -42.91 67.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.113 0.965 . . . . 0.0 112.234 170.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -170.82 126.49 0.72 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 128.083 2.553 . . . . 0.0 110.703 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -74.84 -34.17 62.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -170.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -69.77 -51.0 37.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.108 0.963 . . . . 0.0 111.021 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -160.75 134.67 6.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.304 1.442 . . . . 0.0 110.91 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.4 t -90.46 124.2 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.803 1.641 . . . . 0.0 108.684 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.465 HD21 ' CD2' ' A' ' 27' ' ' HIS . 26.0 t-20 -79.03 151.18 31.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.22 0.608 . . . . 0.0 112.469 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -47.02 -43.46 19.64 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.894 1.678 . . . . 0.0 115.059 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -66.61 -40.36 88.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.912 0.778 . . . . 0.0 111.271 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -73.12 -32.33 64.86 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.295 1.038 . . . . 0.0 111.882 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.97 -39.1 88.3 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.27 -0.894 . . . . 0.0 110.661 169.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.71 -38.95 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 117.675 -1.155 . . . . 0.0 112.169 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -55.2 -40.01 70.28 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.371 1.441 . . . . 0.0 111.605 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -69.35 -42.04 75.81 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.356 0.663 . . . . 0.0 112.512 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.91 -28.15 69.32 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.05 0.841 . . . . 0.0 112.177 171.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.3 -41.33 96.73 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.104 0.859 . . . . 0.0 112.483 170.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.94 88.27 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.632 1.216 . . . . 0.0 111.615 170.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 tp -57.56 -41.26 80.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.602 1.161 . . . . 0.0 112.127 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.76 -32.34 69.45 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.848 1.259 . . . . 0.0 112.678 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 ttt -74.31 -38.88 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.027 0.931 . . . . 0.0 112.269 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 52.5 mt -75.6 -12.86 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 126.296 1.839 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.56 -16.66 10.71 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.5 1.52 . . . . 0.0 114.3 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 72.03 -60.01 0.54 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 128.392 2.677 . . . . 0.0 114.088 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.32 -29.91 57.49 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.104 1.362 . . . . 0.0 112.189 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.22 90.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.043 0.937 . . . . 0.0 112.583 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.98 15.53 4.91 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.4 1.48 . . . . 0.0 113.157 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -121.41 -36.58 3.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.425 1.49 . . . . 0.0 113.13 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 C-N-CA 126.003 1.763 . . . . 0.0 113.938 173.793 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.35 -62.41 1.44 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.876 1.67 . . . . 0.0 114.552 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -43.12 90.98 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.85 -39.74 89.33 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.409 2.739 . . . . 0.0 114.387 169.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -74.32 -43.85 55.01 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.695 1.134 . . . . 0.0 111.651 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.53 -36.34 78.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.847 1.659 . . . . 0.0 112.311 -176.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -74.65 -32.34 62.23 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 171.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -42.9 71.17 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.492 1.042 . . . . 0.0 112.063 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -66.03 -25.75 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 118.963 0.801 . . . . 0.0 111.371 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.91 -25.54 74.6 Favored Glycine 0 C--N 1.345 1.031 0 C-N-CA 125.312 1.434 . . . . 0.0 113.888 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -47.52 73.71 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.256 1.528 . . . . 0.0 110.273 172.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.15 -42.33 90.46 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 123.51 0.724 . . . . 0.0 111.569 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -74.18 -36.04 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.098 0.863 . . . . 0.0 112.07 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.08 -28.51 72.95 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.543 1.068 . . . . 0.0 112.715 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 mt -80.21 -56.58 6.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.807 1.243 . . . . 0.0 110.638 169.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -62.72 -50.27 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -70.25 -19.99 63.1 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -168.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -63.67 -35.09 79.41 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.134 -0.978 . . . . 0.0 112.314 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -84.45 -47.02 11.07 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.729 1.212 . . . . 0.0 113.096 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -63.47 -41.56 98.59 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.392 0.996 . . . . 0.0 111.855 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.34 15.03 52.48 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.63 1.586 . . . . 0.0 114.832 178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.15 -28.07 66.98 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.385 1.592 . . . . 0.0 113.593 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -132.07 21.93 4.5 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.734 1.213 . . . . 0.0 113.495 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.17 -163.08 34.57 Favored Glycine 0 N--CA 1.473 1.105 0 C-N-CA 124.743 1.163 . . . . 0.0 113.872 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.59 3.46 44.29 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.658 1.583 . . . . 0.0 113.227 172.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -58.46 147.3 32.17 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.919 2.488 . . . . 0.0 114.818 -169.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -118.17 19.45 13.53 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.61 1.964 . . . . 0.0 114.12 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.3 p -124.3 156.35 37.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.378 2.271 . . . . 0.0 110.418 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -111.52 120.81 43.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.958 1.303 . . . . 0.0 110.752 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.8 t -78.62 173.17 12.7 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 122.148 0.975 . . . . 0.0 109.994 168.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.13 -38.66 71.11 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.687 -1.258 . . . . 0.0 113.453 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -70.67 -39.52 73.52 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -51.38 70.24 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.619 0.768 . . . . 0.0 110.807 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.14 -41.65 90.14 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 117.988 0.358 . . . . 0.0 110.557 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -63.36 -43.55 97.34 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.356 -0.84 . . . . 0.0 112.451 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -65.14 -38.22 89.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.431 0.692 . . . . 0.0 111.582 176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -58.12 -52.68 64.54 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.598 1.159 . . . . 0.0 110.461 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.31 -52.36 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.697 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -64.26 -27.32 68.96 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.989 0.813 . . . . 0.0 113.129 -176.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -86.85 -50.4 6.74 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.915 1.234 . . . . 0.0 113.836 174.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -85.56 -35.52 21.02 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -169.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mp -108.21 -17.61 13.97 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.757 1.223 . . . . 0.0 113.104 -178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . 0.312 26.4 p 54.43 -121.32 1.79 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.386 2.274 . . . . 0.0 109.115 -169.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.7 tt -165.66 170.17 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.337 1.455 . . . . 0.0 111.457 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.03 -47.69 6.94 Favored Glycine 0 N--CA 1.472 1.087 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 169.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 41.4 t -147.78 139.28 23.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.394 1.478 . . . . 0.0 110.266 169.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -60.22 -18.32 47.68 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.018 -1.051 . . . . 0.0 113.438 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.12 -23.43 67.43 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.99 1.316 . . . . 0.0 113.086 170.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -80.06 -4.8 54.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.524 1.13 . . . . 0.0 113.064 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.15 -28.39 67.87 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.262 -1.524 . . . . 0.0 113.63 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.68 73.0 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.454 1.102 . . . . 0.0 112.787 171.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -80.69 -28.59 36.66 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.976 0.91 . . . . 0.0 111.232 170.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.2 mm -64.28 -43.11 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 120.023 1.283 . . . . 0.0 111.56 171.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -67.81 -24.05 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 119.883 1.219 . . . . 0.0 113.259 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.43 -38.7 59.62 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.996 -1.065 . . . . 0.0 111.849 169.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -39.27 88.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.392 1.077 . . . . 0.0 111.36 169.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -62.54 -43.19 99.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.941 1.296 . . . . 0.0 111.864 173.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.33 -35.4 80.28 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.101 1.361 . . . . 0.0 112.309 174.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -72.91 -24.9 60.89 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.828 1.251 . . . . 0.0 113.394 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.35 -48.15 36.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.036 1.334 . . . . 0.0 110.651 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.35 -13.85 62.39 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -49.93 -28.92 7.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 113.057 175.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -67.87 -29.46 68.59 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -140.2 -19.02 0.89 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -169.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 66.26 35.26 6.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.825 2.05 . . . . 0.0 113.654 170.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -166.02 -56.3 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.576 1.55 . . . . 0.0 110.131 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -156.99 142.9 17.81 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.83 1.652 . . . . 0.0 110.531 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.1 p -92.69 135.0 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.549 1.14 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -91.33 160.86 15.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.28 1.032 . . . . 0.0 112.635 -177.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -53.84 -48.57 69.83 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 -169.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -67.28 -35.8 80.24 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.225 0.92 . . . . 0.0 111.537 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -70.14 -38.25 75.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.251 1.42 . . . . 0.0 111.04 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.62 -43.65 93.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.003 0.921 . . . . 0.0 111.467 169.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.9 mt -69.64 -37.56 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 121.387 -0.82 . . . . 0.0 112.061 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.1 m -59.89 -42.13 93.1 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.18 0.992 . . . . 0.0 111.177 173.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.45 -38.53 87.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.543 0.737 . . . . 0.0 112.301 173.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -62.02 -26.31 68.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.527 1.058 . . . . 0.0 111.943 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -36.82 87.66 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.336 0.97 . . . . 0.0 112.973 169.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.26 73.59 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.341 1.071 . . . . 0.0 112.155 170.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.11 -41.43 99.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.896 0.878 . . . . 0.0 111.398 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.91 -35.67 81.43 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.808 1.243 . . . . 0.0 112.571 171.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -66.46 -28.49 68.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.18 0.992 . . . . 0.0 113.195 172.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.0 -31.89 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 120.894 -1.129 . . . . 0.0 112.233 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -78.23 50.22 0.89 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.49 1.116 . . . . 0.0 111.271 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -55.58 -28.67 56.38 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.158 1.783 . . . . 0.0 115.805 -169.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.99 -40.16 92.44 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.2 0.909 . . . . 0.0 112.219 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.16 -20.66 65.78 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.15 0.98 . . . . 0.0 113.15 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.1 mt -103.29 18.12 22.5 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.233 2.213 . . . . 0.0 112.326 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -127.13 -36.4 2.16 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.573 1.549 . . . . 0.0 111.952 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.295 0 C-N-CA 125.591 1.567 . . . . 0.0 113.754 172.083 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.392 0.139 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -66.44 -23.71 66.33 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.477 1.511 . . . . 0.0 113.229 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 79.16 -48.64 3.39 Favored Glycine 0 N--CA 1.475 1.24 0 C-N-CA 125.599 1.571 . . . . 0.0 113.906 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.95 -65.39 0.57 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.535 1.934 . . . . 0.0 111.092 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -56.13 -29.41 60.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.118 0.967 . . . . 0.0 112.873 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.72 -16.15 63.28 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.77 -40.95 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 120.048 1.295 . . . . 0.0 108.78 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.6 -35.44 80.99 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.242 1.817 . . . . 0.0 111.69 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.66 -22.95 58.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.625 1.17 . . . . 0.0 113.31 174.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -69.83 -24.09 63.4 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.577 -1.327 . . . . 0.0 113.066 174.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.3 mp -80.08 -27.56 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.988 1.315 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -54.12 -37.82 64.75 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.906 -1.121 . . . . 0.0 112.562 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -72.49 0.56 10.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.58 1.952 . . . . 0.0 114.312 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.86 -30.55 67.81 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.092 1.357 . . . . 0.0 113.253 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 89.28 26.5 25.61 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 115.789 1.075 . . . . 0.0 115.789 169.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -62.91 154.86 28.91 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 118.819 1.309 . . . . 0.0 113.989 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.88 -16.54 7.58 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 128.056 2.543 . . . . 0.0 113.426 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -87.99 -32.98 18.56 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.158 1.345 . . . . 0.0 114.586 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -59.24 -46.76 87.63 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.198 0.999 . . . . 0.0 111.682 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -18.58 65.21 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 174.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -82.59 -39.15 22.62 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.566 1.076 . . . . 0.0 111.525 169.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 67.9 m -72.84 -36.56 67.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.847 1.259 . . . . 0.0 111.969 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.2 -47.4 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 118.378 0.535 . . . . 0.0 110.169 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -59.36 -45.72 90.62 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.848 0.459 . . . . 0.0 111.53 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.68 -46.94 80.86 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.046 -1.034 . . . . 0.0 112.23 173.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.79 66.4 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -82.05 -44.52 16.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.479 0.711 . . . . 0.0 111.338 168.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 14.9 t -67.69 -26.35 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 125.682 1.593 . . . . 0.0 113.523 -170.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -58.96 -21.41 58.44 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 171.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.5 m -111.49 17.05 20.43 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.953 1.301 . . . . 0.0 113.245 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.093 1.357 . . . . 0.0 114.449 178.807 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.48 151.22 46.31 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.638 0.775 . . . . 0.0 111.512 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.23 47.98 3.28 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 125.106 1.336 . . . . 0.0 113.672 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 27.1 tp -48.82 -67.48 0.26 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 -174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -26.31 32.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.686 1.194 . . . . 0.0 114.193 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -76.3 -19.02 58.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.156 0.889 . . . . 0.0 113.166 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.96 -36.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.666 1.187 . . . . 0.0 109.026 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -68.77 -30.06 68.58 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.229 1.412 . . . . 0.0 111.937 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.71 -35.63 66.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.38 1.072 . . . . 0.0 112.049 169.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -65.26 -17.19 64.3 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.711 -1.243 . . . . 0.0 112.821 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 43.1 mm -95.17 -39.76 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.36 1.464 . . . . 0.0 111.796 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -51.63 -47.54 63.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.136 0.974 . . . . 0.0 110.83 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.69 -0.13 32.78 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -107.52 -22.9 12.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.36 1.464 . . . . 0.0 113.552 171.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -61.9 153.4 41.49 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.846 1.212 . . . . 0.0 113.582 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -80.89 0.08 36.81 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 78.41 7.5 2.36 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.683 2.793 . . . . 0.0 114.071 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -65.03 -22.28 66.96 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.732 -1.23 . . . . 0.0 113.026 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 9.4 tpp -44.91 -64.96 0.59 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.176 1.79 . . . . 0.0 109.512 169.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -66.48 -27.25 67.65 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -68.59 -48.27 64.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.068 0.849 . . . . 0.0 110.574 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.8 m -66.28 -39.23 89.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.283 1.433 . . . . 0.0 111.514 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.03 -53.13 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.395 0.678 . . . . 0.0 110.612 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -64.56 -33.79 76.73 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.97 -55.49 32.31 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.766 1.166 . . . . 0.0 111.357 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.5 -29.32 64.21 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.842 1.257 . . . . 0.0 113.632 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -76.33 -17.88 59.2 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.724 1.61 . . . . 0.0 113.56 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 55.8 t -105.91 -37.92 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.803 1.241 . . . . 0.0 113.143 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.87 -14.54 60.27 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 -169.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 24.6 p -80.43 0.58 32.79 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 76.3 mtm-85 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.041 1.737 . . . . 0.0 111.96 177.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.08 14.73 3.05 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.499 1.92 . . . . 0.0 112.073 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -39.45 -48.38 4.8 Favored Pre-proline 0 CA--C 1.547 0.835 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -169.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -67.96 -33.74 25.28 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.822 1.682 . . . . 0.0 112.838 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.8 tp -80.63 -39.85 26.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.236 0.926 . . . . 0.0 111.742 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.51 -35.97 79.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.387 1.475 . . . . 0.0 112.475 -176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -73.02 -25.43 60.96 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 171.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.17 -45.47 18.05 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.944 1.247 . . . . 0.0 112.388 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.1 pt -64.64 -32.9 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 119.396 0.998 . . . . 0.0 111.204 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.23 -23.4 71.53 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.476 1.036 . . . . 0.0 113.91 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -50.89 44.85 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.907 1.353 . . . . 0.0 110.203 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.13 -40.17 88.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.117 0.967 . . . . 0.0 111.731 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -69.13 -42.65 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.84 0.745 . . . . 0.0 110.7 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.64 89.92 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.294 0.949 . . . . 0.0 112.425 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mt -67.82 -54.02 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.286 1.035 . . . . 0.0 110.736 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -66.86 -50.68 61.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.607 1.094 . . . . 0.0 113.268 -173.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -70.47 -21.17 62.81 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.18 -42.8 91.68 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.943 -1.098 . . . . 0.0 112.369 169.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -82.51 -30.43 29.83 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.1 p -75.5 -42.76 52.02 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.956 1.253 . . . . 0.0 112.015 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.43 58.02 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.518 1.532 . . . . 0.0 113.993 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -62.32 -33.22 74.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.123 1.369 . . . . 0.0 112.124 169.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -106.19 -34.65 7.44 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.593 1.557 . . . . 0.0 113.082 -173.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.03 179.39 48.7 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-N 118.951 0.796 . . . . 0.0 114.631 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -76.36 -16.38 59.75 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.62 138.63 57.59 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.918 1.287 . . . . 0.0 112.286 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -80.25 48.51 1.02 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.558 1.543 . . . . 0.0 112.757 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.8 p -139.19 150.34 45.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.083 2.153 . . . . 0.0 109.665 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -112.22 143.71 42.84 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.943 1.297 . . . . 0.0 110.152 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.6 t -80.41 146.68 31.34 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 167.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -62.19 -22.86 66.25 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -170.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -75.54 -29.41 59.41 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 169.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -78.39 -30.51 47.89 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.582 1.153 . . . . 0.0 111.204 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.5 tm? -58.97 -47.22 85.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.807 0.843 . . . . 0.0 110.258 169.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 35' ' ' LYS . 47.2 mtpt -57.34 -39.15 75.33 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.435 -0.791 . . . . 0.0 111.746 173.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -60.65 -46.94 88.41 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.566 0.746 . . . . 0.0 111.287 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -54.84 -52.31 63.14 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.326 1.051 . . . . 0.0 111.083 172.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.78 -40.03 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.951 -0.468 . . . . 0.0 112.21 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -74.7 -27.57 60.45 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.264 -0.897 . . . . 0.0 112.352 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -85.52 -44.69 12.47 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -86.02 -53.82 4.85 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.095 0.558 . . . . 0.0 111.278 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.4 52.44 1.02 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.004 1.322 . . . . 0.0 111.763 -169.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -57.57 127.15 30.57 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.749 1.22 . . . . 0.0 110.89 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.61 125.66 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 126.013 1.725 . . . . 0.0 108.874 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.46 -26.89 16.53 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.359 0.98 . . . . 0.0 114.547 -173.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 p -75.11 -26.67 59.41 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -165.65 179.45 6.02 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -171.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.7 122.14 10.72 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.303 1.441 . . . . 0.0 109.484 169.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -88.43 -49.61 6.82 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -169.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.75 -38.79 61.48 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 -168.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.0 -26.4 68.27 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.48 -39.92 27.12 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.367 0.531 . . . . 0.0 110.791 169.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.21 -31.97 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.062 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.38 -36.25 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 120.248 1.385 . . . . 0.0 111.931 173.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -75.26 -39.24 60.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.568 0.622 . . . . 0.0 112.619 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.12 -36.35 82.91 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.152 0.887 . . . . 0.0 111.812 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -58.98 -39.58 82.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.66 1.184 . . . . 0.0 111.184 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -64.46 -36.75 85.18 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.252 0.933 . . . . 0.0 113.409 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -70.02 -24.58 63.31 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.318 1.417 . . . . 0.0 113.767 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -80.95 -44.84 17.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.634 1.574 . . . . 0.0 112.26 170.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -73.15 -25.38 60.79 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.142 1.777 . . . . 0.0 113.769 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -11.09 16.89 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -78.73 -19.49 52.24 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 119.901 1.228 . . . . 0.0 113.942 170.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -136.33 -129.41 0.14 Allowed 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.578 1.951 . . . . 0.0 111.431 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -141.22 -42.84 0.38 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -138.76 -8.47 1.41 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.512 1.525 . . . . 0.0 113.213 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.56 157.76 45.73 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.247 1.819 . . . . 0.0 112.645 -169.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.07 111.53 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.053 1.741 . . . . 0.0 108.628 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -80.61 149.18 29.97 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.234 1.414 . . . . 0.0 112.031 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -54.7 -48.0 72.99 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.35 -38.72 90.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.26 0.936 . . . . 0.0 111.035 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.85 -34.78 74.08 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.832 1.253 . . . . 0.0 111.928 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -61.01 -39.78 91.04 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.99 0.916 . . . . 0.0 110.433 169.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.9 mt -71.65 -39.29 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.601 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -56.96 -42.27 79.82 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 120.271 1.396 . . . . 0.0 110.86 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -66.57 -38.36 86.9 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 173.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.0 mt -63.43 -17.1 62.33 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.485 1.039 . . . . 0.0 112.167 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.44 -37.29 69.54 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 119.627 1.103 . . . . 0.0 111.639 169.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.73 -39.57 69.99 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 117.938 0.869 . . . . 0.0 111.572 169.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tp -69.75 -16.64 63.35 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.105 0.962 . . . . 0.0 112.974 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -82.72 -44.53 15.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.128 1.371 . . . . 0.0 110.38 168.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 60.6 ttp -66.14 -33.4 75.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.748 1.219 . . . . 0.0 113.437 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 tp -52.73 -31.6 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.76 -23.73 66.36 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 65.86 -60.9 0.28 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.998 2.919 . . . . 0.0 114.665 169.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -60.66 -35.3 75.89 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.316 1.846 . . . . 0.0 111.803 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.98 -17.96 63.81 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.5 mt -108.13 17.29 22.46 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.848 1.659 . . . . 0.0 113.043 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -97.2 -29.95 13.28 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.979 -1.076 . . . . 0.0 113.186 170.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.386 0 C-N-CA 125.712 1.625 . . . . 0.0 113.388 -178.526 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.41 -25.42 50.76 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.6 p -52.43 -39.92 70.6 Favored Pre-proline 0 CA--C 1.548 0.895 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.05 -34.8 27.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.578 2.185 . . . . 0.0 113.523 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.37 -41.68 55.84 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.122 1.328 . . . . 0.0 111.001 174.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.25 -44.0 79.23 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.375 1.47 . . . . 0.0 112.258 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -73.16 -19.85 61.03 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.76 -48.99 12.7 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.46 1.027 . . . . 0.0 112.381 172.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -61.69 -37.18 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 119.553 1.07 . . . . 0.0 110.88 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.66 70.67 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.739 1.161 . . . . 0.0 113.757 173.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -53.34 44.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.76 1.28 . . . . 0.0 110.249 173.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.0 -40.62 85.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.347 1.059 . . . . 0.0 111.61 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.459 HD11 ' HB1' ' A' ' 81' ' ' ALA . 47.5 mt -66.21 -46.08 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.959 0.8 . . . . 0.0 111.032 176.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.05 -32.59 69.45 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.803 1.192 . . . . 0.0 113.214 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mt -68.57 -42.85 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.073 0.949 . . . . 0.0 110.715 169.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -72.15 -59.57 2.67 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -66.68 -26.1 66.87 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -54.1 -38.01 64.91 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.66 1.184 . . . . 0.0 113.704 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -80.5 -24.01 39.7 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -58.86 -20.97 55.78 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.708 1.203 . . . . 0.0 114.191 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.41 83.1 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.193 0.902 . . . . 0.0 114.594 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -68.12 -52.18 37.84 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.289 1.544 . . . . 0.0 110.904 170.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -88.37 -21.34 24.38 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.253 0.621 . . . . 0.0 112.615 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.96 27.58 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.182 1.372 . . . . 0.0 114.078 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -96.35 169.61 9.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.255 1.822 . . . . 0.0 113.235 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -94.31 -120.76 0.1 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.176 1.391 . . . . 0.0 110.592 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -81.94 46.31 0.99 Allowed 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.672 -1.892 . . . . 0.0 113.983 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t -154.71 144.44 21.56 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.997 1.719 . . . . 0.0 110.296 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 94.5 mt -117.81 142.86 46.82 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.77 1.228 . . . . 0.0 111.83 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 p -78.13 171.11 15.53 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.288 -0.882 . . . . 0.0 112.702 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -63.56 -46.04 87.72 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.724 -1.235 . . . . 0.0 112.574 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -73.1 -30.76 63.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.761 0.824 . . . . 0.0 112.964 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.9 -34.88 71.99 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.733 1.213 . . . . 0.0 111.688 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -66.89 -44.78 79.96 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.635 1.174 . . . . 0.0 109.816 169.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.68 -37.59 82.11 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.867 -1.146 . . . . 0.0 112.194 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.27 -48.86 80.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.703 1.201 . . . . 0.0 111.758 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.62 -54.94 26.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.603 0.761 . . . . 0.0 110.944 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mt -60.75 -47.72 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 118.304 0.502 . . . . 0.0 111.732 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -70.3 -23.06 62.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.89 -47.72 8.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.348 1.431 . . . . 0.0 113.861 169.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -85.58 -27.96 25.16 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.059 0.845 . . . . 0.0 113.224 -170.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 mp -114.57 46.17 1.43 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.239 1.816 . . . . 0.0 109.237 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.2 t -54.03 141.15 29.24 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 126.63 1.972 . . . . 0.0 113.819 -171.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 pt -151.24 160.8 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 128.713 2.805 . . . . 0.0 109.677 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.9 -171.79 42.97 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 124.369 0.985 . . . . 0.0 114.646 -171.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 40.6 p -71.77 -0.76 11.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.732 1.613 . . . . 0.0 114.312 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -50.26 145.1 6.45 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.308 1.843 . . . . 0.0 112.675 170.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 tp -79.61 79.42 6.1 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.554 1.142 . . . . 0.0 111.73 -174.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.73 7.15 2.29 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.842 1.257 . . . . 0.0 113.374 169.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.23 -23.33 67.38 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.215 -1.553 . . . . 0.0 111.699 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -30.66 66.28 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.536 1.534 . . . . 0.0 112.685 169.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.64 -38.89 38.51 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.714 0.806 . . . . 0.0 110.731 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mm -63.16 -42.62 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.121 0.569 . . . . 0.0 111.472 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.43 -29.86 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.165 0.893 . . . . 0.0 112.34 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -75.13 -35.39 61.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.118 0.872 . . . . 0.0 112.258 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.78 -37.18 84.08 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.583 -0.698 . . . . 0.0 111.504 171.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -61.49 -40.67 95.39 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.852 0.861 . . . . 0.0 111.403 170.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.76 -36.94 84.69 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.1 0.96 . . . . 0.0 113.083 171.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.05 -18.31 60.85 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.938 1.245 . . . . 0.0 113.436 173.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -81.08 -45.41 16.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.529 1.132 . . . . 0.0 110.3 169.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.13 -17.35 64.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.987 1.715 . . . . 0.0 113.409 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -60.19 -24.47 64.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.187 1.795 . . . . 0.0 112.571 172.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -81.66 -43.95 17.84 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.731 0.812 . . . . 0.0 112.421 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -143.11 119.1 10.65 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.783 2.033 . . . . 0.0 109.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -79.69 7.93 7.55 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -118.97 -71.63 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.263 1.025 . . . . 0.0 110.303 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -124.17 141.05 52.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.615 1.566 . . . . 0.0 108.549 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 12.5 p -88.09 115.85 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 124.209 1.003 . . . . 0.0 110.636 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.69 153.29 31.05 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.927 0.891 . . . . 0.0 111.709 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -48.9 -43.27 39.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.013 1.325 . . . . 0.0 114.368 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -60.05 -42.37 94.34 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.812 0.733 . . . . 0.0 111.796 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -75.27 -33.6 61.28 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.063 0.945 . . . . 0.0 111.378 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.91 -44.58 89.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.512 1.125 . . . . 0.0 111.776 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.99 -45.22 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.926 0.784 . . . . 0.0 110.668 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.7 m -59.95 -41.17 91.27 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.421 1.088 . . . . 0.0 111.706 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -68.47 -40.47 80.98 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.216 1.006 . . . . 0.0 112.144 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.22 -23.06 66.43 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.33 0.968 . . . . 0.0 112.327 172.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.12 84.07 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-N 119.148 0.886 . . . . 0.0 112.21 169.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.79 -34.5 69.46 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.158 0.979 . . . . 0.0 112.943 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -64.64 -46.42 82.6 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.424 0.689 . . . . 0.0 110.835 171.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.93 -31.3 69.72 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.129 0.971 . . . . 0.0 113.359 -178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.2 ptm -80.88 -11.47 59.58 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.8 tp -67.53 -31.17 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 120.859 1.663 . . . . 0.0 111.438 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . 0.4 ' HA ' ' CE1' ' C' ' 200' ' ' TYR . 97.1 m-85 -69.61 50.15 0.1 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.835 2.054 . . . . 0.0 113.598 175.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -56.32 -19.86 16.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.895 1.678 . . . . 0.0 115.125 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -55.04 -33.87 63.05 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.727 1.148 . . . . 0.0 112.185 169.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.38 -21.25 64.71 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.584 1.153 . . . . 0.0 113.834 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -98.87 -3.31 35.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.363 1.465 . . . . 0.0 112.929 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -82.86 -16.21 48.53 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.764 1.226 . . . . 0.0 113.688 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.385 0 C-N-CA 125.807 1.67 . . . . 0.0 113.105 -178.445 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -123.25 160.71 26.04 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.81 1.244 . . . . 0.0 111.772 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 87.67 166.44 42.45 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.824 1.202 . . . . 0.0 113.757 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.6 pp -59.58 -27.7 66.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 113.498 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.65 -30.86 23.22 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.018 1.327 . . . . 0.0 113.079 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -71.05 -10.82 60.41 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 175.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 74.5 t -98.36 -41.46 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 125.574 1.55 . . . . 0.0 108.544 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.3 -42.65 99.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.156 1.782 . . . . 0.0 111.097 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 66.9 tttm -54.7 -37.22 65.56 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.65 1.18 . . . . 0.0 112.698 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -64.65 -25.18 67.84 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.085 -1.009 . . . . 0.0 112.523 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 59.1 mt -93.87 -42.3 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.467 1.507 . . . . 0.0 110.739 177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . 0.4 ' CE1' ' HA ' ' B' ' 84' ' ' TYR . 18.8 t80 -52.93 -44.08 66.77 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 125.341 1.456 . . . . 0.0 112.562 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -82.48 -0.96 48.82 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.634 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -109.62 -30.23 8.0 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.998 1.719 . . . . 0.0 112.94 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -91.22 -157.97 34.22 Favored Glycine 0 CA--C 1.54 1.643 0 C-N-CA 125.713 1.625 . . . . 0.0 116.1 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.77 155.7 25.93 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.991 2.516 . . . . 0.0 115.659 -169.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -135.43 3.96 3.11 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.478 1.911 . . . . 0.0 112.851 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -65.49 -19.1 65.79 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.773 -1.205 . . . . 0.0 113.303 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 35.8 tpp -35.78 -56.93 0.68 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 128.171 2.588 . . . . 0.0 111.932 169.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -65.14 -25.03 67.58 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 33.8 mtm105 -72.54 -34.41 67.52 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.941 0.896 . . . . 0.0 111.544 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 43.4 m -66.44 -44.05 83.94 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.148 0.979 . . . . 0.0 110.819 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.34 -50.12 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.289 0.636 . . . . 0.0 110.829 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -54.95 -51.29 66.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.87 0.468 . . . . 0.0 111.592 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -57.57 -49.05 77.67 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.233 -0.917 . . . . 0.0 112.383 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.3 -26.78 68.64 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -84.56 -40.48 17.51 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.408 1.083 . . . . 0.0 111.815 174.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 55.9 t -79.4 -25.09 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.158 0.983 . . . . 0.0 112.977 -171.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.11 -17.33 64.38 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.7 m -90.76 2.99 55.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.179 1.392 . . . . 0.0 114.337 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.213 0 C-N-CA 124.783 1.233 . . . . 0.0 113.664 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -73.62 145.58 45.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.005 0.922 . . . . 0.0 111.142 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -76.54 33.42 1.38 Allowed Glycine 0 N--CA 1.476 1.351 0 C-N-CA 125.848 1.69 . . . . 0.0 115.648 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 43.2 tp -55.85 -67.59 0.28 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.556 1.943 . . . . 0.0 111.72 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.23 -25.98 64.49 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -63.09 -20.9 65.79 Favored 'General case' 0 CA--C 1.55 0.962 0 O-C-N 120.926 -1.109 . . . . 0.0 113.886 172.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.64 -33.65 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.842 1.257 . . . . 0.0 109.591 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.89 -30.18 66.47 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.495 1.518 . . . . 0.0 111.486 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -55.22 -34.14 63.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.267 1.027 . . . . 0.0 112.0 171.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -60.91 -24.94 66.39 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.094 -1.003 . . . . 0.0 113.276 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 28.1 mm -91.08 -47.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.45 1.5 . . . . 0.0 110.661 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -50.36 -45.75 55.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.915 1.286 . . . . 0.0 113.108 173.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.24 -1.88 28.63 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -85.23 -16.3 40.67 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.221 1.008 . . . . 0.0 112.615 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 167.63 117.81 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.215 0.912 . . . . 0.0 114.795 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.84 -7.43 20.51 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.435 1.894 . . . . 0.0 113.42 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . 0.463 ' HA ' ' HE2' ' D' ' 208' ' ' LYS . 27.7 t70 -64.17 -26.81 68.69 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 117.422 2.378 . . . . 0.0 117.422 -168.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -92.71 -25.94 18.0 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 40.3 tpp -57.92 -52.19 66.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.996 0.918 . . . . 0.0 110.357 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' D' ' 205' ' ' ASP . 29.8 pttt -60.32 -24.33 64.92 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 176.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -76.87 -40.79 46.34 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.39 0.996 . . . . 0.0 110.959 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.4 m -64.11 -46.08 85.77 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.114 1.366 . . . . 0.0 111.148 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 48.5 mm -59.05 -49.38 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 122.839 0.456 . . . . 0.0 111.007 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -55.3 -48.87 73.47 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.61 0.641 . . . . 0.0 112.058 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -56.22 -52.43 64.47 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.078 -1.014 . . . . 0.0 112.1 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.24 -29.54 68.83 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -85.95 -31.51 22.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.413 1.085 . . . . 0.0 113.441 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 78.3 t -91.28 -24.93 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 124.474 1.11 . . . . 0.0 113.415 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.45 -18.63 65.47 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 19.6 m -88.58 -0.68 57.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.934 1.294 . . . . 0.0 114.266 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.295 0 C-N-CA 124.968 1.307 . . . . 0.0 113.143 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 119.278 -0.391 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.68 -8.6 55.92 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -174.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -71.19 -31.77 2.08 Favored Pre-proline 0 CA--C 1.549 0.904 0 N-CA-C 118.83 2.9 . . . . 0.0 118.83 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -71.18 -41.55 2.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 123.153 2.162 . . . . 0.0 114.157 -169.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.07 -36.96 40.02 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.563 1.074 . . . . 0.0 111.301 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.46 -40.17 81.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.806 1.242 . . . . 0.0 112.493 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.61 -33.51 72.78 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.448 0.567 . . . . 0.0 112.287 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.27 -41.46 66.7 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.383 0.992 . . . . 0.0 112.751 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.2 pt -67.28 -29.78 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.377 -0.827 . . . . 0.0 111.333 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.97 88.66 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.465 1.031 . . . . 0.0 113.017 170.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -54.01 43.16 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.012 1.325 . . . . 0.0 110.916 175.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.61 -42.58 67.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.883 1.673 . . . . 0.0 112.452 174.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.8 mt -65.24 -48.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.504 0.593 . . . . 0.0 111.195 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.74 -28.71 71.76 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.092 0.853 . . . . 0.0 113.405 -174.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.3 mt -72.07 -47.21 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.398 1.099 . . . . 0.0 111.374 170.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -63.21 -47.44 82.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.775 0.658 . . . . 0.0 112.775 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -72.37 -22.56 61.12 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -169.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.26 -44.19 71.62 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.186 0.903 . . . . 0.0 112.048 169.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.61 -36.85 23.58 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.903 1.281 . . . . 0.0 113.378 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 t -64.75 -44.13 91.1 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.14 4.85 85.4 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.49 1.043 . . . . 0.0 114.704 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -61.17 -36.69 80.51 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.039 1.419 . . . . 0.0 114.184 -169.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -101.33 12.63 37.09 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.588 1.555 . . . . 0.0 113.32 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.28 164.52 13.06 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.868 1.699 . . . . 0.0 111.469 -170.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.26 125.41 24.96 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -170.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -171.81 166.99 6.44 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 128.375 2.67 . . . . 0.0 110.102 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -119.1 31.19 6.75 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.96 1.304 . . . . 0.0 112.891 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.0 p -135.87 147.68 48.31 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.306 1.842 . . . . 0.0 111.416 -175.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -111.92 123.1 49.52 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.905 1.282 . . . . 0.0 110.309 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.2 m -77.89 168.06 20.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.018 0.527 . . . . 0.0 111.087 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -56.58 -47.55 79.31 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 119.7 -1.875 . . . . 0.0 114.613 -169.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -70.84 -40.37 72.42 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.191 -0.943 . . . . 0.0 111.885 175.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.36 -33.66 75.17 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.629 1.571 . . . . 0.0 112.041 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.77 -50.59 49.15 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.961 1.704 . . . . 0.0 110.295 169.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -54.26 -38.22 65.57 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.76 1.164 . . . . 0.0 112.852 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -56.01 -52.71 63.24 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.097 0.862 . . . . 0.0 110.648 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tt -55.59 -55.85 27.25 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.665 0.786 . . . . 0.0 111.084 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -70.61 -17.71 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.003 1.274 . . . . 0.0 114.378 -174.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -82.16 -43.38 17.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 120.047 1.294 . . . . 0.0 111.846 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -85.2 -36.63 20.88 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.67 -54.96 4.22 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.745 0.818 . . . . 0.0 109.67 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.7 51.85 2.28 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.044 0.937 . . . . 0.0 110.139 -176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.0 m -49.25 116.36 1.68 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.857 2.463 . . . . 0.0 112.755 -169.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.1 pt -86.42 -14.05 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.03 1.332 . . . . 0.0 113.475 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.01 -152.9 33.54 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.378 1.466 . . . . 0.0 113.2 176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.1 m -69.39 -16.54 63.53 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.308 1.043 . . . . 0.0 113.526 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -70.18 126.16 28.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.663 1.585 . . . . 0.0 110.904 171.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.93 126.02 31.44 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.665 0.786 . . . . 0.0 110.891 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -138.9 20.0 2.65 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.897 1.679 . . . . 0.0 110.704 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.33 -25.39 68.28 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.271 -1.518 . . . . 0.0 113.144 -170.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.09 -30.61 71.67 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.44 1.096 . . . . 0.0 112.804 170.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -81.09 -34.22 32.81 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.641 0.776 . . . . 0.0 111.345 169.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -62.14 -43.9 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.638 0.775 . . . . 0.0 111.488 175.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.3 -30.67 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 CA-C-N 119.262 0.937 . . . . 0.0 112.286 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -79.24 -31.38 43.55 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.008 0.822 . . . . 0.0 112.356 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.95 -43.89 81.99 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 169.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.9 tmm? -58.62 -41.83 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.838 0.855 . . . . 0.0 112.058 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.39 -35.39 80.8 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.068 0.947 . . . . 0.0 112.937 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.07 -33.63 70.42 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.224 -0.922 . . . . 0.0 112.965 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.21 -44.02 76.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.299 1.439 . . . . 0.0 111.307 169.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -65.75 -32.82 74.58 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.262 1.425 . . . . 0.0 113.242 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.68 -5.94 43.68 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.438 1.017 . . . . 0.0 113.702 172.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.94 -34.73 44.18 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 119.18 0.9 . . . . 0.0 110.85 169.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -159.6 120.16 3.1 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.069 1.748 . . . . 0.0 111.069 169.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.78 131.94 50.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.504 1.922 . . . . 0.0 114.404 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 77.19 -36.2 0.24 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 130.025 3.33 . . . . 0.0 113.532 170.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.87 131.81 18.14 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.717 0.807 . . . . 0.0 111.056 169.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.1 t -94.45 123.16 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.384 1.474 . . . . 0.0 108.392 -174.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -78.74 162.23 26.3 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.981 0.419 . . . . 0.0 111.087 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -52.95 -41.76 64.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -60.92 -48.58 81.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.005 0.522 . . . . 0.0 110.957 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -70.56 -30.34 67.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.303 1.041 . . . . 0.0 112.385 -175.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.69 -41.73 95.73 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.44 0.696 . . . . 0.0 110.797 169.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 41.5 mt -73.38 -35.98 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.418 -0.801 . . . . 0.0 112.429 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.1 m -54.93 -45.03 74.77 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.389 0.995 . . . . 0.0 110.904 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -63.35 -42.74 98.93 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.78 -22.49 65.48 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.549 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.04 -38.0 94.88 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 119.19 0.905 . . . . 0.0 112.734 169.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.7 -43.77 68.32 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 118.09 0.945 . . . . 0.0 111.509 171.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -55.94 -45.88 78.67 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.203 0.601 . . . . 0.0 111.431 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.25 -28.06 67.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.989 1.316 . . . . 0.0 113.501 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.9 tpt -73.65 -37.09 65.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.914 0.779 . . . . 0.0 111.666 170.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -31.56 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.674 0.79 . . . . 0.0 111.448 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -69.4 42.31 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.629 1.572 . . . . 0.0 112.624 169.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -58.24 -19.44 34.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.751 2.02 . . . . 0.0 115.701 -169.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.67 -26.15 55.69 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.709 1.14 . . . . 0.0 112.928 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.36 -25.29 67.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.85 1.26 . . . . 0.0 113.499 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.05 -29.7 15.67 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.912 1.285 . . . . 0.0 110.953 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -71.41 -40.1 70.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.607 0.763 . . . . 0.0 112.421 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.335 0 C-N-CA 125.794 1.664 . . . . 0.0 114.097 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.7 61.35 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -169.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -53.03 -38.64 62.82 Favored Pre-proline 0 CA--C 1.55 0.954 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -170.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -62.84 -32.96 77.19 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.878 3.052 . . . . 0.0 113.757 174.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.28 -43.89 20.53 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 118.853 0.752 . . . . 0.0 111.119 173.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -59.28 -39.97 84.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.465 0.706 . . . . 0.0 111.817 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -71.42 -23.85 61.93 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.36 -43.23 19.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.44 1.096 . . . . 0.0 112.778 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 23.0 pt -64.9 -32.88 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 O-C-N 120.513 -1.367 . . . . 0.0 110.128 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -19.87 67.56 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.819 1.2 . . . . 0.0 113.369 169.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -51.55 31.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.527 1.663 . . . . 0.0 109.071 170.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -57.69 -41.7 82.15 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.764 0.826 . . . . 0.0 110.939 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.454 HD12 ' CZ ' ' B' ' 70' ' ' PHE . 5.2 mm -75.75 -37.19 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 118.797 0.726 . . . . 0.0 111.92 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.15 -26.85 73.36 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.199 0.904 . . . . 0.0 112.63 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 38.3 mt -74.74 -56.61 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.499 1.12 . . . . 0.0 110.785 169.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -63.08 -53.79 48.08 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.538 0.735 . . . . 0.0 112.349 -170.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.97 -25.12 61.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.79 -48.88 79.9 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.865 0.866 . . . . 0.0 111.076 169.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -70.21 -27.9 64.86 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -67.63 -46.5 72.31 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.373 0.988 . . . . 0.0 110.87 169.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.28 -18.44 75.05 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.256 1.408 . . . . 0.0 114.101 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.15 -34.19 77.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.597 1.159 . . . . 0.0 111.71 170.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -87.24 -33.1 19.41 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.423 1.089 . . . . 0.0 111.708 169.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 10.21 64.05 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.172 1.368 . . . . 0.0 114.467 172.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -91.06 -149.11 0.22 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.434 1.494 . . . . 0.0 111.241 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.0 176.22 4.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.987 1.315 . . . . 0.0 112.21 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -72.49 59.91 0.45 Allowed 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 127.161 2.184 . . . . 0.0 113.217 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 57.4 p -133.45 167.15 20.96 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.868 2.067 . . . . 0.0 110.94 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.69 141.34 34.99 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.475 1.51 . . . . 0.0 111.174 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.2 p -82.82 160.38 22.24 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 168.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 pttt -59.71 -33.46 71.64 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.406 -1.434 . . . . 0.0 113.297 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -69.34 -34.61 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -70.13 -39.24 75.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.518 1.053 . . . . 0.0 111.357 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.472 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.0 tm? -60.34 -41.79 94.35 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.809 1.243 . . . . 0.0 110.87 169.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -61.78 -37.74 85.47 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.238 -1.538 . . . . 0.0 112.37 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -65.08 -44.46 88.79 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.23 0.612 . . . . 0.0 111.858 171.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -53.29 -49.01 67.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.725 1.21 . . . . 0.0 110.595 173.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.3 mt -60.72 -47.12 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.088 0.955 . . . . 0.0 111.749 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.92 -20.12 64.22 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.303 1.41 . . . . 0.0 113.197 -178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -60.32 2.4 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.595 1.158 . . . . 0.0 111.424 169.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -89.82 -17.3 28.4 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -169.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -135.7 37.95 2.86 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.688 2.395 . . . . 0.0 109.626 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 25.6 m -41.7 123.35 2.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.701 2.4 . . . . 0.0 113.005 -170.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.4 tt -135.98 -22.23 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.138 0.975 . . . . 0.0 113.484 -174.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.35 -144.78 38.02 Favored Glycine 0 C--N 1.34 0.78 0 C-N-CA 124.516 1.055 . . . . 0.0 112.292 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -88.53 -92.72 0.11 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.589 1.155 . . . . 0.0 110.826 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 75.8 tttt 58.37 16.49 4.12 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.765 1.626 . . . . 0.0 112.992 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.1 mp 66.97 7.96 5.75 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.317 2.647 . . . . 0.0 112.807 -170.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -87.76 -16.54 33.9 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.089 1.356 . . . . 0.0 111.753 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -53.15 -37.41 61.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.716 1.606 . . . . 0.0 112.728 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.34 -27.87 69.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.97 1.308 . . . . 0.0 113.666 173.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.35 -37.5 25.57 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.822 0.849 . . . . 0.0 111.082 170.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.1 mm -62.96 -41.52 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.051 0.94 . . . . 0.0 111.728 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -64.11 -29.77 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 119.266 0.939 . . . . 0.0 112.303 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -78.16 -32.84 50.4 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.72 -44.84 92.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.352 1.433 . . . . 0.0 111.519 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ptt? -65.38 -28.46 69.29 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.373 0.988 . . . . 0.0 112.513 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -78.14 -31.56 49.84 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.954 1.301 . . . . 0.0 112.642 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.58 -33.16 72.33 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.96 1.304 . . . . 0.0 111.941 171.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.28 -51.57 65.57 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.88 1.272 . . . . 0.0 109.689 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.69 -22.89 66.07 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 -59.9 -15.06 18.56 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -70.8 -26.75 63.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.194 0.906 . . . . 0.0 113.202 170.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -132.98 -150.02 0.4 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 126.706 2.002 . . . . 0.0 111.745 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -110.21 -28.28 8.71 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 -169.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -171.43 -27.63 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.602 1.561 . . . . 0.0 112.927 -174.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -125.01 141.43 52.13 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.516 1.127 . . . . 0.0 111.311 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.87 135.75 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.227 1.411 . . . . 0.0 108.801 169.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.16 179.48 5.3 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 121.93 0.872 . . . . 0.0 110.645 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.454 ' CZ ' HD12 ' B' ' 13' ' ' ILE . 30.0 t80 -56.29 -40.88 75.01 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -40.78 79.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.792 0.724 . . . . 0.0 111.26 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.31 -37.32 86.81 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.964 0.905 . . . . 0.0 112.084 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.08 -44.77 94.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.109 0.413 . . . . 0.0 111.665 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 27.0 mm -71.65 -41.01 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 121.516 -0.74 . . . . 0.0 110.875 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -61.52 -45.21 95.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.022 1.329 . . . . 0.0 111.312 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -68.82 -37.74 79.4 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.211 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.7 -31.01 72.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.97 1.259 . . . . 0.0 111.899 173.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.03 -26.94 71.68 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.198 0.904 . . . . 0.0 113.459 170.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.25 -48.59 12.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.299 1.05 . . . . 0.0 111.344 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 23.7 tp -52.63 -46.29 67.01 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.709 1.204 . . . . 0.0 111.379 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.73 66.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.718 1.207 . . . . 0.0 113.708 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 14.2 tpt -78.64 -35.82 44.87 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.366 1.066 . . . . 0.0 112.166 172.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.54 -34.59 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.679 0.672 . . . . 0.0 109.852 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . 0.423 ' HA ' ' CZ ' ' C' ' 200' ' ' TYR . 3.6 m-30 -70.7 40.99 0.06 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 126.654 1.981 . . . . 0.0 113.45 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.55 -25.62 27.1 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 128.089 2.555 . . . . 0.0 116.596 -169.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -66.02 -24.76 66.82 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.674 1.124 . . . . 0.0 112.455 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.08 79.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.912 -1.118 . . . . 0.0 111.637 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.7 mp -68.09 -23.81 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.283 1.033 . . . . 0.0 111.994 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -69.71 -20.26 63.54 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.804 1.183 . . . . 0.0 113.903 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 C-N-CA 125.168 1.366 . . . . 0.0 113.736 -177.668 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -138.64 167.84 21.08 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.141 1.376 . . . . 0.0 111.47 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -77.21 59.21 3.61 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.418 1.485 . . . . 0.0 113.967 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.6 pp -51.72 -32.82 31.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.57 1.948 . . . . 0.0 114.094 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 76.6 mtm -49.97 -32.68 15.58 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.39 1.476 . . . . 0.0 112.515 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -63.86 -22.81 67.09 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.49 -41.86 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 126.44 1.896 . . . . 0.0 109.336 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.57 -41.46 97.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.424 1.489 . . . . 0.0 111.408 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -62.41 -32.72 73.6 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.587 0.755 . . . . 0.0 112.803 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -66.96 -28.33 68.19 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.192 -0.942 . . . . 0.0 112.544 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 81.7 mt -89.34 -44.09 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.148 1.779 . . . . 0.0 110.278 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . 0.423 ' CZ ' ' HA ' ' B' ' 84' ' ' TYR . 4.0 t80 -46.24 -48.37 17.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.783 1.633 . . . . 0.0 113.32 170.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.81 -4.56 24.72 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -172.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -109.59 10.04 25.08 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.485 1.914 . . . . 0.0 112.853 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.45 -179.72 44.9 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 126.173 1.844 . . . . 0.0 115.687 -173.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.06 153.3 24.97 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.269 1.428 . . . . 0.0 114.546 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -79.93 -17.22 53.59 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.594 1.558 . . . . 0.0 114.65 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.39 -13.1 61.71 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.6 ttm -49.67 -65.3 0.59 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.206 1.803 . . . . 0.0 111.18 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -58.94 -32.87 69.98 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.442 -0.787 . . . . 0.0 112.811 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.76 -43.34 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.076 0.95 . . . . 0.0 111.704 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 23.0 m -78.86 -37.29 40.73 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.9 1.28 . . . . 0.0 111.211 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 16.8 mm -55.48 -50.04 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.583 0.753 . . . . 0.0 111.145 170.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.52 -50.49 72.92 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.426 0.691 . . . . 0.0 111.317 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -57.54 -52.71 64.31 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.086 -1.009 . . . . 0.0 112.549 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.3 67.59 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -78.58 -46.83 18.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.636 0.775 . . . . 0.0 111.884 171.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 77.7 t -80.61 -20.75 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 124.609 1.164 . . . . 0.0 113.759 -169.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.94 -15.36 62.91 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 175.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.1 m -96.77 0.78 49.99 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.285 1.434 . . . . 0.0 114.035 174.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.254 1.316 0 C-N-CA 125.208 1.403 . . . . 0.0 112.652 -178.413 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 111.676 0.251 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -73.35 143.38 46.89 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.461 0.705 . . . . 0.0 111.511 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -83.58 -2.89 89.95 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.54 1.067 . . . . 0.0 114.804 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.47 -32.53 62.89 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.905 1.282 . . . . 0.0 113.943 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.8 ptp -53.1 -28.36 24.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.894 1.278 . . . . 0.0 113.698 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -67.47 -20.52 65.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.282 1.033 . . . . 0.0 113.775 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.17 -42.71 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.375 1.47 . . . . 0.0 108.738 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -65.97 -33.06 74.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.147 1.379 . . . . 0.0 112.034 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.54 -32.65 67.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.977 0.911 . . . . 0.0 112.676 171.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -68.09 -16.4 64.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.279 -0.888 . . . . 0.0 113.218 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 37.4 mm -92.96 -45.14 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.077 1.351 . . . . 0.0 110.51 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -51.0 -41.63 59.87 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.906 1.282 . . . . 0.0 113.501 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.72 -3.51 15.69 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.59 -30.01 36.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.997 0.919 . . . . 0.0 112.648 170.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.86 170.85 26.75 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.965 1.745 . . . . 0.0 114.74 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -160.37 146.37 15.27 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.424 1.49 . . . . 0.0 111.753 170.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . 0.527 ' HA ' ' HE3' ' D' ' 208' ' ' LYS . 32.5 t70 -95.76 -23.7 16.84 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -91.94 -24.04 19.39 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -61.14 2.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.923 1.289 . . . . 0.0 110.722 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . 0.527 ' HE3' ' HA ' ' D' ' 205' ' ' ASP . 19.0 pttp -67.04 -24.84 66.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.456 1.502 . . . . 0.0 113.967 177.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -68.51 -35.23 77.21 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.881 0.764 . . . . 0.0 111.793 173.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 56.5 m -67.04 -48.06 69.47 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.238 171.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.1 mm -52.54 -42.35 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.31 0.644 . . . . 0.0 111.567 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -62.1 -66.03 0.6 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.117 0.567 . . . . 0.0 111.502 173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -60.85 -33.5 73.15 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.55 -1.344 . . . . 0.0 113.663 -172.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.35 62.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -91.12 -36.18 14.14 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.935 0.894 . . . . 0.0 112.328 171.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 24.3 t -67.67 -15.0 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 124.732 1.213 . . . . 0.0 113.492 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -60.78 -15.06 25.63 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 169.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 84.8 p -73.49 -17.96 61.16 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.684 1.194 . . . . 0.0 114.17 173.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.31 1.444 . . . . 0.0 112.761 -173.725 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mmt . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 119.423 -0.322 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.7 -49.92 0.57 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 129.198 2.999 . . . . 0.0 112.576 -170.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -53.32 -29.73 4.88 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -62.13 -38.31 57.04 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.396 2.064 . . . . 0.0 113.007 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -80.25 -38.93 29.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.717 0.69 . . . . 0.0 111.428 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -61.94 -36.13 80.49 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.591 0.632 . . . . 0.0 112.429 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -76.59 -17.0 59.44 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.0 -52.1 7.79 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.753 1.16 . . . . 0.0 112.509 169.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.9 pt -64.09 -32.7 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 120.892 -1.13 . . . . 0.0 111.338 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.89 -22.58 73.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.612 1.101 . . . . 0.0 113.671 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -48.01 66.9 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.94 1.37 . . . . 0.0 109.549 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.84 -41.77 92.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.2 1.0 . . . . 0.0 110.897 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.98 -51.05 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.778 0.717 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.72 -29.02 72.71 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 124.368 0.985 . . . . 0.0 113.037 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 19.6 mt -68.39 -58.67 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 169.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 29' ' ' LEU . 68.3 t80 -59.78 -49.6 77.1 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.991 1.316 . . . . 0.0 113.815 -170.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -69.71 -20.33 63.54 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.48 -36.28 83.42 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.771 -1.206 . . . . 0.0 111.585 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' A' ' 37' ' ' LEU . 97.6 m-85 -81.18 -26.65 35.83 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.444 1.097 . . . . 0.0 113.298 176.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.1 m -56.34 -30.26 62.4 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.51 11.53 54.08 Favored Glycine 0 N--CA 1.471 1.013 0 C-N-CA 125.168 1.366 . . . . 0.0 114.966 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -50.12 51.9 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.403 1.602 . . . . 0.0 111.355 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -152.23 -18.11 0.18 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.925 1.69 . . . . 0.0 113.719 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.15 -157.25 20.19 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.323 1.44 . . . . 0.0 113.69 170.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -152.65 142.96 22.52 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.877 1.671 . . . . 0.0 111.014 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.7 mttp 70.09 177.41 0.27 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.073 2.149 . . . . 0.0 111.809 -174.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -74.15 60.92 0.82 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 125.488 1.515 . . . . 0.0 113.536 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -160.55 148.88 16.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.347 2.259 . . . . 0.0 110.258 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 16' ' ' PHE . 9.2 mp -118.29 149.05 41.8 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.802 1.241 . . . . 0.0 110.732 -175.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -77.57 169.83 17.62 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.009 -1.057 . . . . 0.0 111.324 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -53.69 -53.44 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.701 -1.249 . . . . 0.0 112.011 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -61.95 -41.31 97.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.404 1.082 . . . . 0.0 112.111 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -67.38 -35.13 78.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.386 1.074 . . . . 0.0 111.947 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.75 -43.09 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.606 1.162 . . . . 0.0 111.077 169.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -56.53 -38.4 71.8 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.923 -1.111 . . . . 0.0 110.811 171.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -66.38 -43.07 86.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.331 1.053 . . . . 0.0 112.077 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 7.4 tt -52.29 -47.93 65.61 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.516 1.053 . . . . 0.0 110.384 169.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.94 -47.31 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 119.206 0.912 . . . . 0.0 111.292 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -64.93 -39.66 93.86 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.988 0.813 . . . . 0.0 113.018 -177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -87.01 -35.75 18.61 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -87.31 -49.02 7.53 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.281 0.946 . . . . 0.0 112.786 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.9 mt -87.94 77.47 8.47 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 122.513 1.149 . . . . 0.0 108.834 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p -71.95 48.53 0.17 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 128.015 2.526 . . . . 0.0 113.798 -174.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.1 pt -84.95 0.27 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.191 1.796 . . . . 0.0 114.004 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.49 -11.48 55.68 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.393 1.473 . . . . 0.0 114.803 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 m 71.9 -18.0 0.33 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 128.599 2.76 . . . . 0.0 115.333 172.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.8 mttp 42.82 -110.78 0.15 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.519 1.928 . . . . 0.0 112.968 169.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -118.42 20.35 13.07 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.052 2.141 . . . . 0.0 111.677 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -87.93 -10.22 51.22 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.723 1.609 . . . . 0.0 113.325 -169.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -52.15 -42.62 63.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.633 1.56 . . . . 0.0 113.668 -172.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.48 69.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.445 1.098 . . . . 0.0 112.936 175.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -81.19 -33.4 33.02 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.901 1.28 . . . . 0.0 111.305 172.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.8 mm -63.91 -45.13 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 121.053 -1.029 . . . . 0.0 111.524 173.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.25 -22.24 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 118.846 0.748 . . . . 0.0 112.537 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -79.05 -38.85 35.41 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.437 -0.789 . . . . 0.0 112.194 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.15 -37.44 87.46 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.53 1.132 . . . . 0.0 111.679 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.0 ttp -57.49 -41.16 80.19 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.913 1.285 . . . . 0.0 111.815 169.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.35 -36.76 68.87 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.76 0.824 . . . . 0.0 112.863 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -64.66 -31.6 72.89 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.17 0.896 . . . . 0.0 112.544 173.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.43 -44.6 71.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -69.18 -20.54 64.0 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.93 1.292 . . . . 0.0 114.392 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -48.04 -32.4 6.62 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.159 1.384 . . . . 0.0 112.965 171.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -78.59 -4.48 49.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.39 1.476 . . . . 0.0 113.728 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -149.51 -130.35 0.05 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.012 1.325 . . . . 0.0 111.585 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.95 -53.39 0.09 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.533 1.06 . . . . 0.0 113.625 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -105.32 -42.92 5.12 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.291 1.036 . . . . 0.0 111.915 -176.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.34 157.94 44.25 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.212 1.805 . . . . 0.0 112.016 -169.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.22 102.43 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.036 2.135 . . . . 0.0 108.812 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.11 155.41 27.52 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.87 1.268 . . . . 0.0 112.452 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -51.34 -39.13 56.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.805 1.642 . . . . 0.0 114.602 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -61.61 -47.39 85.66 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.081 0.552 . . . . 0.0 110.866 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.06 -35.46 66.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.154 0.582 . . . . 0.0 111.161 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.44 -48.64 76.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.889 1.275 . . . . 0.0 111.815 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -74.06 -37.37 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 119.367 0.985 . . . . 0.0 112.075 177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.8 m -54.22 -44.77 71.98 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.233 1.013 . . . . 0.0 111.041 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -70.94 -40.19 72.19 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.655 1.182 . . . . 0.0 113.115 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.22 -19.26 61.44 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.854 0.752 . . . . 0.0 112.581 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.17 -38.38 95.86 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.688 1.131 . . . . 0.0 112.5 169.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.53 65.3 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.135 0.967 . . . . 0.0 111.967 170.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.5 -18.73 64.45 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.57 -46.73 15.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.133 0.973 . . . . 0.0 109.641 168.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.0 ttp -65.72 -26.93 67.97 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.4 tp -58.02 -31.41 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.721 0.808 . . . . 0.0 113.016 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -74.13 48.35 0.31 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.654 1.581 . . . . 0.0 112.332 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -50.33 -19.77 0.91 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.06 2.944 . . . . 0.0 116.735 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.65 -41.24 85.61 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.648 1.567 . . . . 0.0 111.568 170.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.49 -16.02 63.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.53 1.132 . . . . 0.0 113.428 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.93 7.81 45.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.502 1.921 . . . . 0.0 111.481 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -121.55 -45.0 2.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.395 1.478 . . . . 0.0 111.984 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.675 -1.625 . . . . 0.0 113.233 176.706 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mmm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.66 -36.78 68.03 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -63.02 -39.64 54.3 Favored Pre-proline 0 CA--C 1.548 0.889 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -173.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -57.88 -39.21 88.6 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.622 2.881 . . . . 0.0 114.141 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.42 -43.25 50.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.402 1.001 . . . . 0.0 111.252 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.25 -38.4 79.97 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.775 1.23 . . . . 0.0 112.817 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.94 -27.26 60.93 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 173.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.79 -48.39 25.68 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.764 1.165 . . . . 0.0 112.059 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 45.1 pt -64.03 -29.54 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.053 -1.029 . . . . 0.0 111.696 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.43 -27.17 73.82 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.309 0.956 . . . . 0.0 113.481 172.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -48.43 73.0 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.851 1.326 . . . . 0.0 110.153 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.55 -40.57 87.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.027 0.931 . . . . 0.0 111.796 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -64.4 -45.48 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.063 0.847 . . . . 0.0 110.808 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -30.84 74.54 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.358 0.98 . . . . 0.0 113.318 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -76.45 -44.04 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.159 0.984 . . . . 0.0 112.206 171.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -73.76 -54.08 8.86 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 123.764 0.826 . . . . 0.0 112.838 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -73.17 -21.01 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -169.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -66.21 -29.21 69.43 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.14 -0.975 . . . . 0.0 112.772 171.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -81.15 -30.5 34.43 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 169.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.7 m -64.47 -49.65 70.59 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.701 -1.25 . . . . 0.0 111.595 170.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.89 -15.59 69.39 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.032 1.301 . . . . 0.0 114.423 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -64.17 -33.32 75.53 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.296 1.048 . . . . 0.0 111.601 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -100.46 -21.5 15.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.461 1.504 . . . . 0.0 113.044 173.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.55 18.9 31.38 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.581 1.563 . . . . 0.0 114.021 -176.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -74.69 144.54 43.7 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.336 1.054 . . . . 0.0 112.885 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -77.52 -48.11 17.87 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -149.15 24.95 0.91 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.773 1.229 . . . . 0.0 113.889 -171.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -147.1 161.03 41.68 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.888 0.875 . . . . 0.0 113.028 -169.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt -131.47 148.61 52.66 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 126.91 2.084 . . . . 0.0 109.539 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 52.3 p -78.99 161.2 26.8 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.678 -0.639 . . . . 0.0 109.455 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -56.27 -30.28 62.24 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.861 -1.15 . . . . 0.0 113.202 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.32 -39.42 32.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.293 1.037 . . . . 0.0 112.779 173.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.54 -36.21 82.13 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.473 1.033 . . . . 0.0 111.404 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.41 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.1 tm? -60.14 -46.17 90.57 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.367 1.067 . . . . 0.0 109.999 169.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -58.81 -39.88 82.46 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.285 -0.885 . . . . 0.0 111.968 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -66.18 -41.23 90.54 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.104 0.865 . . . . 0.0 112.464 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tt -54.29 -51.9 63.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.151 0.98 . . . . 0.0 110.594 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -67.14 -42.57 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.879 -0.581 . . . . 0.0 111.757 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.32 -32.0 72.7 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.194 0.907 . . . . 0.0 113.005 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -49.99 7.51 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.573 1.079 . . . . 0.0 113.035 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -85.34 -33.0 22.15 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.986 0.914 . . . . 0.0 113.103 -169.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -113.8 49.94 0.95 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.92 1.688 . . . . 0.0 108.636 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.0 t -72.92 128.05 34.34 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.635 0.774 . . . . 0.0 111.29 -177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.8 pt -147.58 9.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 127.446 2.298 . . . . 0.0 112.353 -171.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.98 -11.88 46.47 Favored Glycine 0 N--CA 1.476 1.358 0 C-N-CA 125.499 1.523 . . . . 0.0 116.439 -169.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.3 m -64.03 -21.5 66.54 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.591 1.196 . . . . 0.0 112.293 169.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -109.2 -74.02 0.67 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.002 1.721 . . . . 0.0 110.922 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -153.63 148.24 26.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 128.111 2.564 . . . . 0.0 108.833 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -156.93 -83.65 0.06 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.733 0.697 . . . . 0.0 111.923 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -45.12 -53.59 7.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.583 1.953 . . . . 0.0 114.355 -168.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 -23.91 66.52 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.812 0.845 . . . . 0.0 113.088 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -81.09 -43.26 19.73 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.525 0.73 . . . . 0.0 110.808 170.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.63 -36.48 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.83 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.7 m -66.72 -29.67 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.197 1.362 . . . . 0.0 113.038 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -81.06 -34.18 32.92 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.265 0.939 . . . . 0.0 112.891 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.29 -41.8 89.27 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.593 -1.317 . . . . 0.0 112.351 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -27.99 66.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.209 0.913 . . . . 0.0 111.855 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -70.91 -26.07 63.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.069 1.347 . . . . 0.0 112.895 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.67 -27.36 37.12 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.437 1.095 . . . . 0.0 113.386 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.38 -42.3 36.9 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.771 1.228 . . . . 0.0 111.693 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -71.91 -31.82 66.76 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.227 1.411 . . . . 0.0 114.238 -176.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -63.92 -9.49 15.72 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -68.9 -22.2 64.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.896 0.879 . . . . 0.0 112.338 169.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -136.32 -129.4 0.14 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.637 2.375 . . . . 0.0 109.528 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -150.4 6.8 0.57 Allowed 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -170.66 -32.93 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.372 1.469 . . . . 0.0 112.667 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -134.29 164.28 27.74 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.177 1.391 . . . . 0.0 111.665 -171.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 p -138.72 123.97 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.448 1.499 . . . . 0.0 109.797 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -81.96 164.24 21.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.183 0.993 . . . . 0.0 111.808 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -60.79 -43.14 98.52 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -172.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.8 -33.66 75.24 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.206 -0.934 . . . . 0.0 111.799 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.3 -39.27 82.09 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.194 0.907 . . . . 0.0 111.399 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -61.65 -43.91 97.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.917 1.287 . . . . 0.0 111.609 172.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.08 -35.44 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 O-C-N 121.121 -0.987 . . . . 0.0 112.001 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 92.1 m -59.23 -43.58 92.34 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.387 1.075 . . . . 0.0 110.789 172.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.18 -42.74 99.43 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.275 172.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.86 -28.75 70.06 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.836 1.198 . . . . 0.0 112.319 174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.93 -41.74 95.23 Favored Glycine 0 N--CA 1.468 0.826 0 C-N-CA 124.544 1.069 . . . . 0.0 112.141 169.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.5 -39.66 85.18 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 117.976 0.888 . . . . 0.0 112.819 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.47 -47.7 81.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.598 1.159 . . . . 0.0 110.801 173.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -31.37 72.08 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.784 1.234 . . . . 0.0 113.145 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 53.6 tpp -68.51 -40.97 80.63 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.143 0.977 . . . . 0.0 112.072 173.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.01 -34.02 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.716 0.807 . . . . 0.0 110.967 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -72.54 47.59 0.17 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.938 1.351 . . . . 0.0 112.005 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.02 -25.21 63.48 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.087 2.155 . . . . 0.0 115.363 -169.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.12 -42.98 79.4 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.31 0.959 . . . . 0.0 111.115 173.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.0 86.49 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.034 -1.041 . . . . 0.0 111.118 173.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.03 -2.19 17.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.96 1.704 . . . . 0.0 114.0 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -122.55 -20.06 6.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.025 1.33 . . . . 0.0 113.761 174.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.837 2.161 . . . . 0.0 112.831 172.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.592 0.234 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.16 -17.38 35.08 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.858 1.663 . . . . 0.0 112.524 170.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 86.87 133.66 3.73 Favored Glycine 0 C--N 1.344 0.979 0 C-N-CA 125.592 1.568 . . . . 0.0 112.918 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.26 -47.6 85.29 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.275 0.63 . . . . 0.0 112.213 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -58.97 -17.59 26.12 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.356 1.462 . . . . 0.0 114.326 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -86.53 -16.04 38.13 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 79.8 t -95.33 -40.57 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.425 1.49 . . . . 0.0 108.373 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.19 -30.98 62.48 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.713 1.605 . . . . 0.0 112.008 -177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -61.54 -26.71 68.12 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.79 1.177 . . . . 0.0 113.467 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -65.53 -25.94 67.67 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.302 -0.874 . . . . 0.0 111.954 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 28.3 mt -92.12 -36.11 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.488 1.515 . . . . 0.0 110.411 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -54.98 -41.83 71.68 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.043 -1.036 . . . . 0.0 112.766 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -70.69 -9.67 57.66 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -111.21 13.85 21.76 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.548 2.339 . . . . 0.0 112.528 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -57.81 147.06 37.67 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.73 1.633 . . . . 0.0 115.718 -169.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -78.18 143.02 37.56 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.293 1.437 . . . . 0.0 114.326 -173.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.74 -29.34 51.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.741 1.216 . . . . 0.0 114.084 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -73.21 -19.4 61.1 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.014 0.825 . . . . 0.0 112.95 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.3 -38.52 87.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.846 0.748 . . . . 0.0 111.436 172.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -64.72 -30.05 71.05 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.847 0.859 . . . . 0.0 113.025 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -77.97 -35.43 50.24 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.328 0.651 . . . . 0.0 112.517 170.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 86.6 m -61.81 -53.91 49.53 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.827 1.651 . . . . 0.0 111.638 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.05 -29.15 42.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -75.65 -54.96 6.15 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.192 0.997 . . . . 0.0 111.211 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.31 -41.25 96.67 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.634 -1.291 . . . . 0.0 112.066 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.15 68.35 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -74.32 -45.94 44.14 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.735 0.698 . . . . 0.0 110.997 170.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.88 -42.18 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 125.273 1.429 . . . . 0.0 114.041 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -70.54 -6.52 36.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.142 1.777 . . . . 0.0 115.338 -169.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 72.9 m -126.45 144.37 50.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.866 1.266 . . . . 0.0 110.338 169.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.084 1.753 . . . . 0.0 112.017 -178.518 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -162.27 164.54 27.54 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.452 1.501 . . . . 0.0 111.252 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -162.84 145.9 11.17 Favored Glycine 0 N--CA 1.471 0.988 0 C-N-CA 124.977 1.275 . . . . 0.0 112.649 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -62.29 -32.95 73.75 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.394 1.078 . . . . 0.0 113.657 -174.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -54.09 -29.76 45.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.702 1.201 . . . . 0.0 113.824 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -67.51 -17.18 64.57 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.17 -35.69 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.437 1.495 . . . . 0.0 109.794 176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.25 -31.9 73.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.44 1.096 . . . . 0.0 111.238 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -52.35 -32.95 40.76 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.973 1.309 . . . . 0.0 112.607 170.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -71.18 -15.15 62.46 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.894 -1.129 . . . . 0.0 113.146 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.82 -43.5 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.495 1.518 . . . . 0.0 110.789 170.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -53.36 -43.83 68.07 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.702 0.801 . . . . 0.0 113.005 171.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.24 -0.64 15.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.637 1.575 . . . . 0.0 113.844 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.57 -23.36 53.53 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.981 0.912 . . . . 0.0 112.051 169.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.25 15.85 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.494 1.997 . . . . 0.0 113.432 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.49 159.21 21.81 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.336 1.854 . . . . 0.0 110.725 -173.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -155.79 -50.41 0.08 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.34 -28.64 63.18 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.887 0.767 . . . . 0.0 112.64 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 17.7 mmt -48.56 -50.07 33.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.707 1.203 . . . . 0.0 111.054 169.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.53 -20.4 66.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.252 1.021 . . . . 0.0 112.934 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -88.25 -42.15 12.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.713 0.805 . . . . 0.0 111.919 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.1 m -70.5 -48.27 56.48 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.843 1.657 . . . . 0.0 111.879 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.63 -44.32 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.864 0.466 . . . . 0.0 110.236 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -55.07 -60.83 2.84 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.863 0.465 . . . . 0.0 111.546 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -61.37 -37.13 82.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.995 -1.066 . . . . 0.0 113.017 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.45 84.1 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -79.32 -37.42 37.65 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.066 0.546 . . . . 0.0 111.729 175.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 22.8 t -58.24 -40.28 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.084 1.353 . . . . 0.0 112.073 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -66.46 -10.83 48.14 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.444 1.498 . . . . 0.0 113.646 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 58.7 m -119.94 5.1 10.91 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.305 1.442 . . . . 0.0 113.885 172.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.116 1.366 . . . . 0.0 113.329 -177.72 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.06 -22.81 58.12 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -169.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -40.86 -49.88 7.54 Favored Pre-proline 0 N--CA 1.478 0.972 0 N-CA-C 117.352 2.352 . . . . 0.0 117.352 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.22 -28.87 33.4 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 122.116 1.877 . . . . 0.0 113.527 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -82.21 -39.47 23.07 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.168 0.894 . . . . 0.0 112.096 171.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.68 -36.57 79.07 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.827 1.651 . . . . 0.0 112.555 -176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -67.21 -30.8 70.83 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 170.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.98 -47.15 14.03 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.455 1.025 . . . . 0.0 112.262 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -62.84 -29.12 46.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.763 0.711 . . . . 0.0 111.343 169.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -25.47 73.88 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-O 118.283 -1.287 . . . . 0.0 114.146 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -49.25 55.79 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.704 1.752 . . . . 0.0 109.802 172.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.54 HD23 HD11 ' B' ' 5' ' ' LEU . 11.8 mt -57.68 -41.97 82.66 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.656 1.182 . . . . 0.0 111.998 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -71.89 -38.67 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.761 0.71 . . . . 0.0 111.15 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.31 -47.95 88.07 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.434 1.016 . . . . 0.0 112.102 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mt -67.93 -36.73 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.376 1.088 . . . . 0.0 111.717 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.31 -59.8 3.95 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.949 0.9 . . . . 0.0 111.788 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -23.44 61.6 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -170.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -53.62 -42.86 68.19 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.025 1.33 . . . . 0.0 111.047 169.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.5 -38.79 25.74 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 117.791 -1.1 . . . . 0.0 113.716 174.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.3 m -58.82 -29.33 66.82 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.662 1.573 . . . . 0.0 113.769 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.82 60.6 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.848 -0.973 . . . . 0.0 114.89 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.6 -51.99 24.46 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.358 1.579 . . . . 0.0 111.863 171.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -89.59 -28.84 19.28 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.564 0.62 . . . . 0.0 112.31 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.46 126.69 0.89 Allowed Glycine 0 N--CA 1.471 1.023 0 C-N-CA 124.41 1.005 . . . . 0.0 112.68 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.64 110.6 1.03 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.474 1.51 . . . . 0.0 112.703 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -167.03 163.33 15.87 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.179 1.792 . . . . 0.0 110.051 -170.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 20.04 0.06 Allowed 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -141.47 143.25 33.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.039 1.735 . . . . 0.0 111.55 -172.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 mt -104.75 137.72 42.13 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.322 1.849 . . . . 0.0 109.465 169.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.2 m -78.48 157.82 28.8 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.21 -0.931 . . . . 0.0 111.045 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -58.24 -36.17 72.8 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.049 -1.657 . . . . 0.0 114.863 -169.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -78.3 -30.75 48.55 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -67.01 -41.95 85.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.094 1.758 . . . . 0.0 109.989 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.67 -45.77 88.66 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.729 2.012 . . . . 0.0 110.104 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.13 -43.11 99.39 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.774 -1.203 . . . . 0.0 111.781 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -62.12 -36.5 81.96 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.418 0.687 . . . . 0.0 112.327 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.57 -50.46 73.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.686 0.794 . . . . 0.0 110.111 169.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -58.33 -41.26 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 118.02 -0.991 . . . . 0.0 111.631 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -59.51 -32.54 70.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.293 1.406 . . . . 0.0 112.958 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -84.76 -39.18 18.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.621 0.768 . . . . 0.0 112.585 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.38 -67.14 0.46 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.924 0.89 . . . . 0.0 110.341 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.8 mt -94.54 76.43 3.81 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.865 1.266 . . . . 0.0 110.146 -171.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p -81.14 88.75 5.98 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 169.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.0 mt -77.53 -10.78 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.138 0.975 . . . . 0.0 111.949 -169.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.2 -144.86 17.36 Favored Glycine 0 N--CA 1.473 1.142 0 O-C-N 120.96 -1.087 . . . . 0.0 115.322 168.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 m -76.57 38.16 0.19 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.933 2.093 . . . . 0.0 115.132 -169.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.34 144.87 22.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.986 1.714 . . . . 0.0 111.745 174.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.71 129.54 41.51 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.2 1.4 . . . . 0.0 110.957 -170.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.49 -23.09 4.16 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -56.28 -42.91 78.27 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 120.168 1.349 . . . . 0.0 113.559 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.17 68.52 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 113.429 175.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -81.02 -38.7 27.03 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.403 0.681 . . . . 0.0 111.118 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -67.21 -37.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.226 0.921 . . . . 0.0 112.103 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.81 -29.44 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.639 1.109 . . . . 0.0 112.024 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.46 -33.08 42.68 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 170.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -46.85 88.28 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 120.788 -1.195 . . . . 0.0 111.341 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -64.95 -28.87 69.82 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.5 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.87 -31.1 70.68 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.504 1.047 . . . . 0.0 112.64 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -80.19 -19.4 47.14 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 170.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.34 -40.82 25.93 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.379 1.071 . . . . 0.0 110.778 169.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -69.68 -6.69 33.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.115 2.166 . . . . 0.0 112.919 171.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -58.74 -22.17 57.05 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.815 1.246 . . . . 0.0 112.554 172.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -81.88 -30.61 31.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.59 1.556 . . . . 0.0 113.129 174.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -171.35 129.67 0.71 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.269 2.628 . . . . 0.0 110.334 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.42 -17.48 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.936 2.199 . . . . 0.0 116.936 -168.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -108.16 -22.61 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -161.23 160.21 29.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.291 1.037 . . . . 0.0 112.28 -169.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.2 t -123.9 114.65 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 125.398 1.479 . . . . 0.0 109.656 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -77.83 149.61 34.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.916 0.887 . . . . 0.0 110.625 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -53.05 -40.42 63.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -175.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -61.82 -40.73 96.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.257 -0.902 . . . . 0.0 111.323 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -74.35 -31.98 62.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.509 1.124 . . . . 0.0 111.854 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -62.58 -45.12 94.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.795 1.238 . . . . 0.0 111.163 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mm -64.71 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.35 -0.844 . . . . 0.0 110.95 173.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -59.5 -44.47 93.09 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.399 1.08 . . . . 0.0 110.971 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -62.97 -40.63 98.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.601 0.76 . . . . 0.0 112.202 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.88 -27.62 68.35 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.423 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.39 93.25 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.005 0.812 . . . . 0.0 112.57 170.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.51 -45.23 76.41 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 117.821 0.81 . . . . 0.0 111.517 170.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.44 -44.31 80.33 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.757 1.223 . . . . 0.0 111.601 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.87 78.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.137 1.375 . . . . 0.0 113.093 175.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.46 -33.38 58.73 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.522 0.729 . . . . 0.0 112.619 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -35.88 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 O-C-N 121.493 -0.755 . . . . 0.0 110.564 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -72.26 52.63 0.27 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.819 1.248 . . . . 0.0 111.339 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -52.44 -28.0 18.3 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.367 1.988 . . . . 0.0 116.367 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.86 -35.8 58.07 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.946 1.248 . . . . 0.0 112.694 170.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.28 -22.17 66.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.796 1.238 . . . . 0.0 113.107 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -100.71 12.47 37.4 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 126.286 1.834 . . . . 0.0 112.062 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -127.21 -42.87 1.67 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.113 1.365 . . . . 0.0 112.924 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 C-N-CA 126.695 2.093 . . . . 0.0 112.074 177.327 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 110.804 -0.073 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.58 -26.54 55.17 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -169.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -48.49 -40.9 42.96 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -169.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.14 -42.58 34.87 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.492 2.128 . . . . 0.0 113.184 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.54 HD11 HD23 ' A' ' 12' ' ' LEU . 11.4 tp -80.25 -39.2 29.42 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.348 0.522 . . . . 0.0 111.658 177.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -33.99 77.29 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.553 1.141 . . . . 0.0 112.23 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.99 -24.95 58.5 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.774 0.716 . . . . 0.0 112.419 171.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.27 -45.86 30.68 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.902 1.228 . . . . 0.0 111.93 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.5 pt -64.89 -32.4 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.418 1.008 . . . . 0.0 110.064 169.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -22.77 66.43 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.49 1.519 . . . . 0.0 114.004 170.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -51.19 18.63 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.155 1.477 . . . . 0.0 109.647 172.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.34 -43.91 83.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.954 0.901 . . . . 0.0 111.01 174.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.9 mt -64.41 -42.57 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 118.249 0.477 . . . . 0.0 111.097 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.87 -38.35 94.2 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.005 0.821 . . . . 0.0 112.834 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 33.0 mt -67.0 -36.04 76.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.241 1.017 . . . . 0.0 111.744 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -74.97 -51.66 13.1 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.955 0.902 . . . . 0.0 112.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -25.38 60.76 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -169.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -64.57 -33.15 75.24 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.862 -0.524 . . . . 0.0 112.276 171.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -82.52 -41.99 18.97 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 175.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.7 p -66.49 -11.48 52.54 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 -3.26 78.86 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.301 0.953 . . . . 0.0 114.972 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -74.75 -52.52 11.31 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.222 1.511 . . . . 0.0 112.691 176.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -124.78 -40.57 2.18 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.215 1.406 . . . . 0.0 111.7 -169.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -153.2 26.33 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.504 1.526 . . . . 0.0 113.564 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -165.24 164.52 20.02 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.38 1.872 . . . . 0.0 111.832 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 83.3 tttt 57.92 -101.64 0.13 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.803 1.641 . . . . 0.0 112.528 175.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.436 ' CD2' HD21 ' B' ' 69' ' ' ASN . 0.3 OUTLIER -133.1 25.47 4.23 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.793 1.637 . . . . 0.0 114.441 -169.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.4 p -127.89 151.53 48.96 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.609 1.164 . . . . 0.0 112.402 176.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 55.5 mt -111.49 137.59 49.1 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.339 1.856 . . . . 0.0 109.87 169.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -78.41 166.13 22.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.349 -0.844 . . . . 0.0 111.058 170.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -57.93 -51.65 68.77 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.048 -1.658 . . . . 0.0 113.682 -170.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -72.77 -30.11 63.85 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.575 -0.703 . . . . 0.0 112.155 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.28 -42.41 93.2 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.289 1.436 . . . . 0.0 110.909 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.02 -46.15 85.76 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.39 1.076 . . . . 0.0 111.175 169.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -58.39 -37.8 76.03 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.28 -0.888 . . . . 0.0 111.797 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -66.47 -41.6 88.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.239 1.016 . . . . 0.0 111.696 177.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 tt -55.57 -55.81 27.66 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.292 1.037 . . . . 0.0 110.109 169.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.06 -40.45 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.808 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -76.01 -12.68 60.18 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.817 1.644 . . . . 0.0 114.047 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.12 -41.55 15.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.607 1.094 . . . . 0.0 112.216 169.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -79.36 -56.15 4.54 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.139 0.427 . . . . 0.0 111.219 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.83 74.41 5.71 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.364 1.466 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.2 p -76.82 71.09 3.34 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.179 1.791 . . . . 0.0 110.329 174.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.09 134.6 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.899 1.28 . . . . 0.0 111.323 -175.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.65 -2.93 84.25 Favored Glycine 0 CA--C 1.535 1.313 0 N-CA-C 117.363 1.705 . . . . 0.0 117.363 -169.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 79.5 p -163.98 172.7 13.55 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.863 1.831 . . . . 0.0 113.586 -171.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt 72.79 174.3 0.29 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 127.6 2.36 . . . . 0.0 113.655 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 34.7 tp -82.33 54.25 2.52 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.849 1.66 . . . . 0.0 108.104 168.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -24.52 67.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.737 1.615 . . . . 0.0 114.615 -169.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -54.82 -39.42 68.5 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.672 1.124 . . . . 0.0 112.658 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.61 -28.08 69.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.626 1.17 . . . . 0.0 112.877 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.31 -37.43 28.39 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.742 1.217 . . . . 0.0 111.078 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.81 -43.94 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.877 0.871 . . . . 0.0 111.731 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.83 -27.29 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.664 1.12 . . . . 0.0 112.435 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -72.1 -40.23 68.32 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.079 0.854 . . . . 0.0 111.951 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.65 -39.73 94.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.279 0.632 . . . . 0.0 111.435 174.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -57.54 -41.47 80.99 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.852 0.861 . . . . 0.0 110.583 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.72 -28.56 69.98 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -77.4 -25.84 51.18 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.624 1.102 . . . . 0.0 112.92 173.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.8 mt -80.59 -39.87 26.79 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.868 1.667 . . . . 0.0 111.69 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -68.36 -7.26 29.69 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 127.257 2.223 . . . . 0.0 113.336 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -53.83 -21.94 8.61 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 169.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -61.81 -43.99 97.74 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -166.36 149.33 7.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.857 1.663 . . . . 0.0 111.561 -171.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -55.02 -24.97 27.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.9 2.08 . . . . 0.0 116.112 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -120.36 -19.53 7.58 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -170.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -160.74 155.86 24.45 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.434 1.015 . . . . 0.0 113.119 -169.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 65.1 t -99.75 119.8 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.701 2.0 . . . . 0.0 109.022 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.436 HD21 ' CD2' ' B' ' 27' ' ' HIS . 28.0 t-20 -81.26 149.21 29.1 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -49.34 -44.89 44.89 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.986 1.714 . . . . 0.0 114.378 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -67.83 -35.29 78.34 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.222 -0.924 . . . . 0.0 111.647 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -69.41 -38.31 77.88 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.941 0.496 . . . . 0.0 111.455 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.16 -43.69 95.58 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.306 -0.871 . . . . 0.0 111.894 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 37.1 mm -63.47 -47.79 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 O-C-N 121.225 -0.922 . . . . 0.0 111.03 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.7 m -59.69 -44.16 93.77 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.438 1.095 . . . . 0.0 111.551 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -65.93 -40.22 91.2 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.836 1.255 . . . . 0.0 111.746 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.14 -26.54 68.58 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.024 0.829 . . . . 0.0 112.178 171.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.56 94.57 Favored Glycine 0 CA--C 1.524 0.633 0 CA-C-N 118.939 0.79 . . . . 0.0 112.092 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.36 87.45 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.051 0.925 . . . . 0.0 111.815 171.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -57.19 -46.97 82.37 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.602 1.161 . . . . 0.0 110.712 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.95 89.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.555 1.542 . . . . 0.0 111.874 176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -69.48 -29.66 67.36 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.34 -0.85 . . . . 0.0 113.175 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.31 -25.74 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.883 1.273 . . . . 0.0 113.729 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -56.24 -38.64 71.36 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.301 0.955 . . . . 0.0 110.677 169.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 64.05 -46.43 0.28 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 129.849 3.259 . . . . 0.0 116.272 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -58.71 -37.7 76.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.933 1.293 . . . . 0.0 111.047 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.55 -19.18 64.58 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.03 6.71 41.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.304 1.842 . . . . 0.0 112.539 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -122.92 -32.22 3.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.208 1.403 . . . . 0.0 113.201 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.306 0 C-N-CA 125.547 1.546 . . . . 0.0 113.092 178.863 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.485 0.183 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.2 -26.46 60.28 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.179 0.992 . . . . 0.0 112.148 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 76.08 -27.83 1.42 Allowed Glycine 0 N--CA 1.474 1.185 0 C-N-CA 125.571 1.558 . . . . 0.0 115.599 171.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -50.23 -65.75 0.51 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.389 1.875 . . . . 0.0 111.453 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -28.53 13.49 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.242 1.817 . . . . 0.0 114.106 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -74.64 -14.43 60.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.61 -35.92 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.85 1.26 . . . . 0.0 109.328 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.37 -36.43 79.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.775 2.03 . . . . 0.0 111.624 172.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -52.22 -39.42 60.2 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.375 1.07 . . . . 0.0 111.771 173.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -58.02 -24.99 60.53 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -84.3 -36.62 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.998 1.319 . . . . 0.0 111.753 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -67.35 -35.95 80.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.103 -0.998 . . . . 0.0 111.232 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.0 -1.15 11.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.752 1.221 . . . . 0.0 113.998 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -106.6 -32.3 8.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.719 1.208 . . . . 0.0 113.732 173.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -157.89 149.24 19.58 Favored Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.908 1.123 . . . . 0.0 115.908 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.99 103.81 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 129.067 2.947 . . . . 0.0 108.179 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -149.32 -47.13 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -89.17 -32.78 17.3 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 119.421 1.01 . . . . 0.0 112.887 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 48.5 ttm -51.1 -54.82 21.49 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.152 0.581 . . . . 0.0 110.79 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -58.94 -27.24 65.13 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.65 -42.3 51.74 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.101 0.864 . . . . 0.0 111.283 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 17.9 m -65.35 -38.1 89.07 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.198 0.999 . . . . 0.0 112.568 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 18.1 mm -59.27 -45.76 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.331 0.968 . . . . 0.0 110.947 173.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -61.89 -45.87 91.84 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.073 -0.392 . . . . 0.0 111.709 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.44 -44.39 89.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.096 0.862 . . . . 0.0 112.83 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.72 -34.41 78.26 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -74.68 -38.1 62.49 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.164 0.438 . . . . 0.0 112.079 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 35.9 t -57.82 -32.58 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.576 1.15 . . . . 0.0 111.984 173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.92 -24.39 66.82 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.637 1.175 . . . . 0.0 112.995 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 58.7 m -100.55 -8.65 22.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.493 1.117 . . . . 0.0 114.008 173.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.132 0 C-N-CA 125.355 1.462 . . . . 0.0 113.126 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -117.89 149.0 41.61 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.632 1.173 . . . . 0.0 111.282 -171.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -115.71 -7.64 15.3 Favored Glycine 0 N--CA 1.474 1.172 0 C-N-CA 125.072 1.32 . . . . 0.0 115.447 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -67.24 0.46 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.144 1.472 . . . . 0.0 111.246 -173.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -25.64 20.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.681 1.193 . . . . 0.0 113.57 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -65.72 -19.38 65.88 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 90.9 t -99.26 -36.86 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.043 178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.6 mp -76.43 -31.32 57.82 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.887 1.675 . . . . 0.0 111.87 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -63.49 -26.03 68.53 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.686 -1.259 . . . . 0.0 113.036 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -56.75 -30.87 64.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.576 1.151 . . . . 0.0 111.953 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 54.1 mt -87.11 -42.66 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.082 1.753 . . . . 0.0 110.161 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.89 -38.23 72.51 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.31 -0.869 . . . . 0.0 112.907 174.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -73.7 -3.11 26.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.151 1.38 . . . . 0.0 114.053 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -104.94 -42.58 5.3 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.609 1.564 . . . . 0.0 110.822 169.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.82 -166.27 54.84 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.761 1.648 . . . . 0.0 115.718 169.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -157.23 147.46 20.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.896 1.678 . . . . 0.0 111.577 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -83.59 -33.32 25.4 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.79 -21.38 20.71 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 49.2 tpp -45.53 -60.86 1.95 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.56 1.544 . . . . 0.0 110.824 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -60.79 -34.41 74.46 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.783 1.233 . . . . 0.0 112.823 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -74.06 -45.29 50.39 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.51 0.724 . . . . 0.0 111.737 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.6 m -72.38 -35.26 68.42 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.73 0.812 . . . . 0.0 112.581 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.5 mt -58.13 -44.27 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.439 0.696 . . . . 0.0 110.531 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.49 -47.64 72.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.452 0.701 . . . . 0.0 112.138 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.761 -1.212 . . . . 0.0 112.51 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.63 -31.35 71.44 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -73.33 -46.82 47.14 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.955 0.902 . . . . 0.0 110.983 172.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 43.6 t -60.06 -45.4 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 125.064 1.346 . . . . 0.0 111.865 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.09 -8.86 52.91 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.58 1.552 . . . . 0.0 113.535 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 23.1 m -107.53 -6.07 17.21 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.982 1.313 . . . . 0.0 113.718 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.393 1.477 . . . . 0.0 113.199 -176.36 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 110.553 -0.165 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.22 14.55 0.3 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -172.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -55.65 -36.87 50.67 Favored Pre-proline 0 CA--C 1.552 1.03 0 O-C-N 119.868 -1.77 . . . . 0.0 114.42 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -70.38 -32.41 16.04 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.246 2.63 . . . . 0.0 113.204 169.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.0 tp -74.2 -42.81 59.21 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -54.22 -43.64 70.99 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.396 1.479 . . . . 0.0 112.067 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.88 -16.57 60.03 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 176.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -50.41 9.31 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.558 1.072 . . . . 0.0 112.546 169.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.2 pt -61.85 -32.86 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 CA-C-N 119.371 0.987 . . . . 0.0 111.083 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.42 -19.53 76.21 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.861 1.22 . . . . 0.0 114.078 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -48.76 51.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.158 1.479 . . . . 0.0 110.045 172.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.36 -40.63 91.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.533 0.733 . . . . 0.0 111.241 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.7 mt -68.04 -43.49 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.178 0.899 . . . . 0.0 110.907 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.42 -35.04 91.46 Favored Glycine 0 N--CA 1.468 0.776 0 C-N-CA 124.392 0.996 . . . . 0.0 113.15 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.13 -52.07 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.462 1.105 . . . . 0.0 110.835 169.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.58 -45.27 87.71 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -69.42 -22.96 63.64 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -169.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -53.95 -45.94 71.45 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.168 -0.958 . . . . 0.0 110.967 169.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -82.7 -31.76 28.4 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.734 1.613 . . . . 0.0 114.112 -173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.5 p -79.35 -42.4 25.71 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.98 -1.075 . . . . 0.0 111.92 174.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.78 -14.46 58.3 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.92 1.248 . . . . 0.0 114.14 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -61.37 -34.55 75.5 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.923 1.289 . . . . 0.0 111.495 169.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -94.63 -42.0 9.01 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.023 1.329 . . . . 0.0 111.297 171.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.51 1.22 90.45 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.894 1.235 . . . . 0.0 115.367 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -74.36 -39.27 62.87 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.509 1.155 . . . . 0.0 113.572 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -169.89 178.91 3.82 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.582 1.553 . . . . 0.0 112.445 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.512 ' CE1' HD21 ' A' ' 69' ' ' ASN . 3.0 p-80 -76.05 55.66 0.94 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.066 1.747 . . . . 0.0 113.526 176.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 t -146.52 154.44 41.55 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.4 1.48 . . . . 0.0 111.983 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.2 mt -123.18 147.91 46.35 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.27 1.828 . . . . 0.0 110.205 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.6 p -79.35 165.38 23.19 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.337 -0.852 . . . . 0.0 109.187 168.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -56.26 -41.57 76.03 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.38 -1.45 . . . . 0.0 112.617 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.74 -36.69 73.28 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.137 -0.977 . . . . 0.0 112.467 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.83 -35.17 76.65 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.222 0.919 . . . . 0.0 111.876 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.37 -44.78 96.58 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.63 0.772 . . . . 0.0 110.485 169.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.04 -37.98 81.4 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.008 -1.058 . . . . 0.0 111.86 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.52 -42.95 99.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.941 0.896 . . . . 0.0 112.099 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.69 -55.03 40.14 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.126 0.97 . . . . 0.0 111.082 170.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.5 mt -60.31 -43.92 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.031 0.832 . . . . 0.0 111.934 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -67.26 -26.57 66.63 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.79 -55.78 3.56 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.84 -15.1 35.35 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.094 1.758 . . . . 0.0 115.0 -168.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.91 46.98 2.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.063 1.345 . . . . 0.0 110.075 -175.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.9 p -62.15 119.03 8.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.813 1.645 . . . . 0.0 111.693 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 pt -88.91 0.8 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.334 1.454 . . . . 0.0 113.57 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.74 -157.03 33.74 Favored Glycine 0 N--CA 1.472 1.08 0 C-N-CA 125.335 1.445 . . . . 0.0 111.696 -173.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.8 p -84.8 6.98 22.34 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -63.54 119.26 9.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.123 0.969 . . . . 0.0 111.188 169.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.1 tp -75.93 106.76 7.69 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.087 0.955 . . . . 0.0 110.965 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -130.95 10.82 5.05 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.93 1.292 . . . . 0.0 112.182 174.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -51.19 -41.26 60.11 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.955 1.252 . . . . 0.0 114.178 -169.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.87 69.36 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.949 0.899 . . . . 0.0 113.39 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -81.54 -33.83 31.5 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.434 1.094 . . . . 0.0 111.671 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -64.39 -41.74 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.306 -0.871 . . . . 0.0 111.034 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.71 -25.05 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.074 1.307 . . . . 0.0 112.896 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -76.87 -36.53 56.7 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.105 -0.997 . . . . 0.0 112.52 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.05 -41.27 95.33 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.548 1.139 . . . . 0.0 111.441 170.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.7 ttp -58.6 -43.59 89.62 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.651 1.181 . . . . 0.0 110.933 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.56 -35.07 79.8 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.081 0.952 . . . . 0.0 113.02 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -72.81 -24.07 60.86 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mt -80.52 -46.92 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.334 1.454 . . . . 0.0 110.572 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.01 -17.32 63.2 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 127.021 2.128 . . . . 0.0 114.301 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.33 -14.73 3.12 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.395 1.078 . . . . 0.0 113.572 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -51.91 -35.37 45.25 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.697 1.599 . . . . 0.0 113.59 169.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -147.44 -22.74 0.38 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t70 79.37 18.68 0.77 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 127.859 2.463 . . . . 0.0 111.794 -170.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -158.1 -33.44 0.07 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.301 1.841 . . . . 0.0 112.522 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -142.29 155.1 45.18 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.005 1.322 . . . . 0.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -120.06 121.39 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.31 1.844 . . . . 0.0 110.453 170.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.512 HD21 ' CE1' ' A' ' 27' ' ' HIS . 26.9 t-20 -79.78 154.69 28.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.375 1.07 . . . . 0.0 112.175 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -47.52 -41.92 22.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.065 1.346 . . . . 0.0 114.606 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -59.61 -45.68 91.19 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.47 -0.769 . . . . 0.0 111.539 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -73.65 -29.73 62.51 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.283 0.633 . . . . 0.0 112.211 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -62.35 -46.5 88.41 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.283 -0.886 . . . . 0.0 111.95 171.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.64 -43.17 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.016 0.825 . . . . 0.0 110.826 173.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.0 m -60.12 -44.81 94.62 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.442 1.097 . . . . 0.0 111.188 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -62.83 -43.27 99.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.089 0.956 . . . . 0.0 112.326 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.0 mt -65.29 -25.64 67.72 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.021 0.828 . . . . 0.0 111.969 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.18 -42.3 84.13 Favored Glycine 0 N--CA 1.469 0.86 0 C-N-CA 124.05 0.833 . . . . 0.0 112.496 169.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.16 -33.55 75.66 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.315 0.646 . . . . 0.0 112.538 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -69.98 -40.53 75.31 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.121 0.968 . . . . 0.0 111.213 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.5 81.34 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.673 -0.642 . . . . 0.0 111.255 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.7 ttt -69.56 -37.07 76.86 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.974 0.91 . . . . 0.0 113.161 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -63.64 -30.68 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.05 1.295 . . . . 0.0 112.148 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -74.4 50.39 0.41 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.613 1.165 . . . . 0.0 111.51 169.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -49.42 -29.4 6.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.461 2.305 . . . . 0.0 115.282 -171.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -53.28 -36.92 61.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 113.011 172.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.64 -20.76 64.48 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.485 1.114 . . . . 0.0 113.546 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.11 1.95 50.6 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.677 1.991 . . . . 0.0 111.613 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -115.5 -47.5 2.82 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.72 1.608 . . . . 0.0 112.138 -177.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.789 2.138 . . . . 0.0 111.683 178.892 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 119.159 -0.448 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.31 40.04 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 p -57.17 -32.72 14.22 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 116.176 1.917 . . . . 0.0 116.176 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.79 -36.99 81.66 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.806 2.337 . . . . 0.0 113.389 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 30.4 tp -79.67 -39.5 31.22 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.405 0.548 . . . . 0.0 111.438 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.66 -43.91 76.74 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.238 1.015 . . . . 0.0 112.211 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -70.31 -22.68 62.8 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -47.46 13.99 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.431 1.014 . . . . 0.0 112.195 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 35.8 pt -63.76 -32.97 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.391 0.996 . . . . 0.0 110.928 172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.08 -26.07 72.31 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 125.075 1.321 . . . . 0.0 113.705 170.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -52.98 48.05 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.908 1.354 . . . . 0.0 111.071 170.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.46 -39.58 84.12 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.447 0.699 . . . . 0.0 111.596 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.0 mt -64.85 -48.9 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-N 118.729 0.695 . . . . 0.0 111.099 172.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.89 80.55 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.383 0.992 . . . . 0.0 113.434 -174.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 21.6 mt -72.14 -54.74 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 169.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.85 -43.13 99.62 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.824 0.738 . . . . 0.0 112.71 -173.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.1 -18.0 60.86 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -59.92 -44.13 94.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.703 0.801 . . . . 0.0 110.877 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -80.6 -30.88 36.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.516 1.126 . . . . 0.0 113.155 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -70.73 -41.16 72.23 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.19 0.904 . . . . 0.0 112.774 175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.11 -14.73 61.89 Favored Glycine 0 N--CA 1.475 1.243 0 C-N-CA 124.7 1.143 . . . . 0.0 113.977 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.89 -31.93 73.29 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.853 1.261 . . . . 0.0 112.008 169.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -93.67 -45.8 7.54 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.684 1.194 . . . . 0.0 110.627 170.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.08 -8.95 56.26 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.499 1.524 . . . . 0.0 116.181 170.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.62 -30.16 62.8 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.697 1.199 . . . . 0.0 113.613 -176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -171.79 169.89 5.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.838 2.055 . . . . 0.0 112.188 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 53.55 0.61 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.505 1.922 . . . . 0.0 113.314 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.16 148.54 52.48 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.43 1.492 . . . . 0.0 110.151 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.9 mt -112.67 145.15 40.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.634 1.573 . . . . 0.0 108.706 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -79.14 168.88 18.99 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.137 -0.977 . . . . 0.0 109.205 169.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -57.21 -38.39 73.65 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.403 -1.435 . . . . 0.0 111.809 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -75.29 -34.52 61.31 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -72.62 -33.54 66.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.86 1.209 . . . . 0.0 111.646 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.81 -48.07 82.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.508 0.723 . . . . 0.0 109.97 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' B' ' 38' ' ' ILE . 43.5 mtpt -56.9 -26.74 59.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 117.808 -1.091 . . . . 0.0 113.45 171.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.62 -47.38 69.78 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.995 1.725 . . . . 0.0 110.595 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.76 -58.34 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.258 1.023 . . . . 0.0 111.461 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.437 HG12 ' HA ' ' B' ' 35' ' ' LYS . 39.2 pt -72.73 -19.77 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -171.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -79.84 -29.48 40.16 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 120.852 1.66 . . . . 0.0 112.258 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -86.06 -47.24 9.73 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.598 1.09 . . . . 0.0 113.671 178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -55.92 4.05 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.376 0.671 . . . . 0.0 110.529 179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 72.7 mt -89.85 39.39 0.96 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.296 0.953 . . . . 0.0 111.051 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.7 t -55.5 137.17 49.11 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.131 1.773 . . . . 0.0 112.985 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 pp -116.75 11.53 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 127.238 2.215 . . . . 0.0 112.133 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.09 -151.02 51.63 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.945 1.26 . . . . 0.0 114.276 173.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -77.78 -4.07 44.57 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.745 1.218 . . . . 0.0 114.243 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -63.83 149.83 46.1 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.379 1.071 . . . . 0.0 112.363 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -75.52 45.2 0.3 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.447 1.499 . . . . 0.0 112.973 174.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -86.91 1.11 53.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.729 1.612 . . . . 0.0 112.047 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.38 -31.57 63.96 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.126 1.37 . . . . 0.0 113.205 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -27.89 69.22 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.941 0.896 . . . . 0.0 113.092 174.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -81.67 -38.68 25.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.116 0.966 . . . . 0.0 111.064 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 mm -60.72 -43.93 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.961 0.904 . . . . 0.0 111.56 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.68 -29.86 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.96 -37.06 55.97 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.279 -0.888 . . . . 0.0 111.95 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.4 HD22 HD12 ' B' ' 38' ' ' ILE . 8.7 tt -62.17 -43.74 98.16 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.204 0.911 . . . . 0.0 111.895 170.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 33.5 ttp -56.67 -44.9 81.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.02 1.328 . . . . 0.0 111.975 172.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.54 -37.02 73.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.703 -0.665 . . . . 0.0 112.744 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -65.96 -32.0 73.23 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.966 1.307 . . . . 0.0 112.358 173.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -67.58 -48.24 67.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.552 1.541 . . . . 0.0 110.804 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -65.2 -25.37 67.67 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.175 1.39 . . . . 0.0 114.141 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 -54.22 -27.61 35.6 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.961 1.255 . . . . 0.0 113.627 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -80.6 -14.53 58.12 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.864 0.866 . . . . 0.0 113.288 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -132.05 -142.98 0.22 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.488 2.315 . . . . 0.0 109.147 174.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -158.83 101.93 1.65 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.229 1.411 . . . . 0.0 111.172 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 75.38 12.04 3.29 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.965 2.506 . . . . 0.0 112.611 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -159.59 157.84 30.55 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.401 1.88 . . . . 0.0 109.903 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.0 t -119.76 102.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 126.2 1.8 . . . . 0.0 107.734 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -85.3 156.49 20.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.789 0.836 . . . . 0.0 112.177 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -55.19 -41.91 72.56 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -169.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.06 -44.74 96.03 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.78 -0.575 . . . . 0.0 110.584 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -73.76 -30.88 63.04 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.076 0.951 . . . . 0.0 112.235 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -58.65 -47.41 84.53 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.556 0.742 . . . . 0.0 111.394 169.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.6 mt -72.16 -34.54 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 O-C-N 121.172 -0.955 . . . . 0.0 112.125 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 63.5 m -55.46 -44.93 76.89 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.994 0.816 . . . . 0.0 110.873 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.32 -36.46 79.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.895 0.878 . . . . 0.0 113.072 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 69.2 mt -61.17 -19.82 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.328 0.967 . . . . 0.0 112.479 171.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.75 -42.72 86.42 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 119.494 1.043 . . . . 0.0 111.731 169.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.02 -34.63 75.56 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 118.356 1.078 . . . . 0.0 112.531 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.5 tp -66.01 -43.63 87.12 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.619 0.768 . . . . 0.0 110.761 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.6 -34.42 75.61 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.624 1.17 . . . . 0.0 112.428 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.5 mtp -68.35 -19.11 64.62 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 171.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 tp -70.81 -28.97 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.856 1.207 . . . . 0.0 111.843 172.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -78.33 46.03 0.6 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.066 1.346 . . . . 0.0 109.636 168.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.24 -28.4 27.14 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -168.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -58.97 -34.34 71.69 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.154 -0.966 . . . . 0.0 112.512 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.25 -15.16 62.88 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.984 1.314 . . . . 0.0 113.624 176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.4 mt -102.95 -17.16 15.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.391 1.476 . . . . 0.0 112.929 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -84.94 -44.22 13.33 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.816 1.247 . . . . 0.0 112.198 173.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.4 0 C-N-CA 125.453 1.501 . . . . 0.0 113.915 -177.343 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 41.6 p . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -72.41 143.79 48.4 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.558 1.143 . . . . 0.0 112.29 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -80.68 46.63 3.34 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.127 1.346 . . . . 0.0 111.837 171.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.5 pp -53.1 -43.57 66.94 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.713 1.605 . . . . 0.0 113.492 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -54.55 -29.09 49.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.171 1.388 . . . . 0.0 113.749 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -68.54 -22.28 64.51 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 173.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.3 t -95.85 -40.43 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.581 1.552 . . . . 0.0 108.742 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.8 mp -57.88 -45.35 86.51 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.833 1.253 . . . . 0.0 110.28 169.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -59.89 -38.42 82.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.357 0.663 . . . . 0.0 112.371 174.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -66.54 -12.66 58.74 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 36.1 mm -96.22 -47.73 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.249 0.931 . . . . 0.0 110.085 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -48.24 -46.8 35.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.162 1.385 . . . . 0.0 113.842 174.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.66 -1.72 17.33 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -172.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.95 -20.99 60.19 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.067 0.947 . . . . 0.0 112.911 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 155.23 15.43 0.05 OUTLIER Glycine 0 CA--C 1.535 1.331 0 N-CA-C 118.124 2.01 . . . . 0.0 118.124 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -74.6 130.4 39.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.632 2.216 . . . . 0.0 111.557 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -167.53 -26.01 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.069 1.347 . . . . 0.0 113.916 -169.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.87 -18.24 21.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.805 1.642 . . . . 0.0 114.946 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 58.9 tpp -42.83 -42.86 3.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.302 2.241 . . . . 0.0 113.143 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -50.02 -36.36 28.4 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.578 1.551 . . . . 0.0 113.87 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -74.95 -41.84 58.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.011 0.924 . . . . 0.0 112.029 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 88.7 m -66.75 -44.5 81.33 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.045 0.938 . . . . 0.0 110.735 176.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.69 -50.18 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.836 0.855 . . . . 0.0 111.056 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -53.05 -43.44 66.66 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.719 0.69 . . . . 0.0 112.3 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -25.61 68.39 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -89.12 -34.33 16.76 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.486 -0.759 . . . . 0.0 112.49 170.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -86.38 -21.74 27.0 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -170.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 12.4 p -50.98 -35.52 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 C-N-CA 125.389 1.475 . . . . 0.0 112.987 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.5 -24.3 67.4 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.016 1.727 . . . . 0.0 113.119 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 13.1 t -81.02 122.68 27.6 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.304 -0.872 . . . . 0.0 111.303 175.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 . . . . . 0 C--O 1.251 1.137 0 C-N-CA 126.385 1.874 . . . . 0.0 111.558 -169.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.357 0.122 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.69 143.98 49.49 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.265 1.426 . . . . 0.0 111.665 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -131.6 3.02 5.37 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 116.357 1.303 . . . . 0.0 116.357 -176.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.57 -40.61 83.61 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.332 1.566 . . . . 0.0 113.134 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.59 -23.98 44.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.353 1.461 . . . . 0.0 113.429 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -74.23 -17.56 60.87 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 119.632 1.106 . . . . 0.0 113.941 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.07 -39.37 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.229 1.412 . . . . 0.0 109.637 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.65 -34.23 77.8 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.048 1.339 . . . . 0.0 111.477 170.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.17 -29.64 63.83 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.501 1.12 . . . . 0.0 112.508 173.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -63.83 -24.25 67.68 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.732 -1.23 . . . . 0.0 113.121 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 40.1 mm -86.22 -37.61 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.901 1.28 . . . . 0.0 111.247 174.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.35 -44.42 88.78 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.151 -0.968 . . . . 0.0 112.076 169.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -78.74 -1.08 32.88 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.807 1.643 . . . . 0.0 113.787 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -78.93 -18.76 53.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.939 0.896 . . . . 0.0 112.323 171.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.23 144.43 7.1 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.263 1.411 . . . . 0.0 113.628 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -159.48 154.14 24.38 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.655 1.582 . . . . 0.0 112.527 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.55 -7.3 3.26 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.739 1.616 . . . . 0.0 113.298 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -71.14 -38.39 72.24 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 119.662 1.119 . . . . 0.0 113.217 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.0 mmt -55.01 -47.08 75.17 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.222 0.919 . . . . 0.0 111.073 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -58.36 -22.99 55.56 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.983 -1.073 . . . . 0.0 113.529 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.2 mtp-105 -99.62 -27.74 13.53 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.044 1.338 . . . . 0.0 113.335 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 35.5 p -87.9 -40.72 13.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.143 1.338 . . . . 0.0 112.733 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 26.5 mm -57.99 -40.91 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.552 1.141 . . . . 0.0 111.819 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -57.57 -50.75 72.08 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.383 0.673 . . . . 0.0 111.811 174.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -66.64 -49.47 66.1 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.197 0.599 . . . . 0.0 111.762 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -52.65 -42.18 64.46 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.395 1.078 . . . . 0.0 112.505 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -68.92 -38.92 79.84 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.163 0.438 . . . . 0.0 111.724 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -36.4 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -176.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.08 -37.42 61.57 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.482 1.513 . . . . 0.0 112.401 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 4.6 m -96.87 21.06 10.09 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.544 1.137 . . . . 0.0 112.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 47.8 tpt85 . . . . . 0 C--O 1.254 1.292 0 CA-C-O 116.608 -1.663 . . . . 0.0 114.001 -173.061 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.06 -29.87 60.84 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -55.78 -41.2 89.67 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.54 -35.85 88.45 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 123.324 2.683 . . . . 0.0 113.817 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.5 tp -75.84 -40.74 54.2 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.841 0.746 . . . . 0.0 110.67 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -57.08 -41.48 78.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.541 1.137 . . . . 0.0 111.925 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -72.04 -20.81 61.63 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 174.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.73 -46.47 14.21 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.192 1.36 . . . . 0.0 112.632 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 pt -66.63 -31.29 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 121.09 -1.006 . . . . 0.0 111.293 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.66 -27.84 73.04 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.196 0.903 . . . . 0.0 112.663 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -68.17 -52.55 33.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.916 1.286 . . . . 0.0 110.122 174.241 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -57.61 -38.93 75.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.593 1.957 . . . . 0.0 112.042 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.6 mt -64.43 -51.49 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 118.862 0.755 . . . . 0.0 110.787 170.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.65 -31.92 77.25 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 123.993 0.806 . . . . 0.0 113.886 -173.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.483 HD13 HD13 ' A' ' 11' ' ' LEU . 1.3 mp -69.42 -38.66 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 118.022 -0.989 . . . . 0.0 111.492 173.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -79.97 -52.52 7.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.023 1.283 . . . . 0.0 112.36 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -69.41 -23.19 63.68 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -169.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -58.33 -44.48 88.68 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.299 -0.876 . . . . 0.0 112.039 170.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -81.96 -26.98 33.5 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -67.87 -41.5 82.72 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.612 -1.305 . . . . 0.0 110.802 170.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.49 -26.79 71.99 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 123.997 0.808 . . . . 0.0 113.323 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -67.73 -27.3 66.68 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.591 1.196 . . . . 0.0 112.691 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -87.84 -19.06 27.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.517 1.127 . . . . 0.0 112.815 169.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.56 16.39 60.28 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.256 1.408 . . . . 0.0 113.254 -173.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.3 176.65 5.45 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.668 1.587 . . . . 0.0 111.814 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -92.28 -94.65 0.14 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.284 1.434 . . . . 0.0 112.274 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -113.0 20.28 16.5 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.157 1.383 . . . . 0.0 114.136 -169.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -130.24 151.36 50.83 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.551 1.941 . . . . 0.0 110.593 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -112.35 148.2 34.76 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 126.395 1.878 . . . . 0.0 108.997 169.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -78.33 153.59 31.58 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.049 -1.032 . . . . 0.0 108.726 168.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -53.92 -37.06 63.41 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.324 -1.485 . . . . 0.0 113.227 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.27 -31.62 72.54 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.222 -0.924 . . . . 0.0 113.352 173.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -76.44 -30.46 57.39 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.594 0.758 . . . . 0.0 111.898 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.37 -44.71 96.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -60.75 -39.93 90.58 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.906 -1.121 . . . . 0.0 112.37 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.54 -47.8 84.13 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 118.526 -0.75 . . . . 0.0 111.546 171.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.12 -47.41 71.87 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.527 1.058 . . . . 0.0 111.198 174.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.98 -52.97 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.02 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.62 -23.98 58.79 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.099 1.318 . . . . 0.0 113.234 -175.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.5 -41.13 15.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.575 1.08 . . . . 0.0 112.961 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.83 -52.72 5.14 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.129 0.877 . . . . 0.0 111.707 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.0 mt -86.34 -48.69 8.25 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.246 0.618 . . . . 0.0 110.366 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 m 67.28 87.69 0.12 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.844 2.458 . . . . 0.0 111.857 169.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 pp -94.48 -8.86 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.58 -153.44 42.52 Favored Glycine 0 C--N 1.34 0.771 0 C-N-CA 125.492 1.52 . . . . 0.0 113.731 169.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.9 m -84.84 16.86 3.08 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -57.26 152.49 13.84 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.461 -0.774 . . . . 0.0 111.933 169.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.94 -20.18 56.03 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.247 1.019 . . . . 0.0 112.488 172.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -59.64 -13.47 9.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.389 1.475 . . . . 0.0 114.059 172.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.06 -29.77 67.56 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.965 1.711 . . . . 0.0 112.243 170.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.6 -25.85 66.81 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.499 1.12 . . . . 0.0 113.219 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -81.65 -35.97 29.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.852 1.261 . . . . 0.0 110.396 171.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.8 mm -62.14 -41.95 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 118.062 -0.971 . . . . 0.0 111.797 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.62 -26.42 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.382 1.446 . . . . 0.0 112.848 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -75.82 -37.49 59.04 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.514 1.052 . . . . 0.0 112.125 170.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -63.33 -38.01 89.47 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.217 -0.927 . . . . 0.0 111.732 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.8 ttp -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.602 1.161 . . . . 0.0 110.713 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.16 -39.61 93.23 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.778 0.831 . . . . 0.0 112.767 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -69.2 -23.91 63.97 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.22 -44.66 19.36 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.246 1.418 . . . . 0.0 111.716 169.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.25 -35.51 73.85 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.056 1.742 . . . . 0.0 114.084 -176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -71.77 -6.04 38.56 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -74.21 -15.11 61.01 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.367 1.067 . . . . 0.0 112.937 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -128.09 -95.25 0.42 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.16 1.784 . . . . 0.0 111.368 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -168.86 -57.6 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.832 1.653 . . . . 0.0 113.178 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.6 16.54 1.13 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.896 1.278 . . . . 0.0 111.83 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -143.59 159.0 43.24 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.185 1.794 . . . . 0.0 111.193 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.11 114.05 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.157 1.783 . . . . 0.0 108.737 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -83.76 151.03 25.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.82 1.248 . . . . 0.0 112.31 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -55.98 -45.13 79.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -73.12 -34.89 66.4 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.289 -0.882 . . . . 0.0 111.286 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.24 -37.83 78.17 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.826 0.85 . . . . 0.0 111.413 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.21 -47.92 83.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.531 1.532 . . . . 0.0 111.169 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.2 mt -67.98 -37.37 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.181 -0.949 . . . . 0.0 112.141 176.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 m -59.05 -44.26 91.79 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.177 0.899 . . . . 0.0 111.084 172.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -65.68 -37.8 87.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.821 0.848 . . . . 0.0 112.559 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.06 -29.72 70.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.819 1.19 . . . . 0.0 111.949 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.68 93.91 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.148 0.88 . . . . 0.0 112.384 169.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.41 68.84 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.071 0.935 . . . . 0.0 111.86 170.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 tp -51.78 -46.96 64.35 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.969 1.707 . . . . 0.0 110.608 175.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.96 79.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.05 1.34 . . . . 0.0 112.797 177.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -73.99 -23.06 59.4 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.298 1.408 . . . . 0.0 114.622 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -66.25 -30.57 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.516 0.726 . . . . 0.0 110.508 170.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -75.88 46.09 0.37 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 111.131 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.82 -29.17 4.29 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 118.42 2.748 . . . . 0.0 118.42 -168.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.15 -35.02 72.77 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.621 1.1 . . . . 0.0 112.082 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.06 -37.89 89.01 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.207 1.403 . . . . 0.0 112.682 175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.65 -41.93 52.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.974 1.31 . . . . 0.0 110.91 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.49 -37.0 86.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.523 1.129 . . . . 0.0 112.927 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.281 0 C-N-CA 125.942 1.734 . . . . 0.0 113.149 176.422 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.13 -15.59 57.25 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.976 2.213 . . . . 0.0 116.976 -169.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -49.3 -32.53 4.8 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 117.045 2.239 . . . . 0.0 117.045 -172.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -69.26 -38.46 8.85 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 123.05 2.5 . . . . 0.0 113.943 174.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 tp -81.48 -37.07 28.53 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.736 1.153 . . . . 0.0 111.56 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.85 -40.79 76.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.972 1.709 . . . . 0.0 112.29 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -66.04 -35.87 81.7 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 172.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.48 64.31 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.633 1.106 . . . . 0.0 112.853 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 pt -68.35 -24.17 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.975 -0.453 . . . . 0.0 111.589 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.46 -39.22 61.6 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.596 1.094 . . . . 0.0 113.177 170.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -51.84 65.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.05 1.34 . . . . 0.0 111.187 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 mt -53.31 -43.79 67.85 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.021 1.728 . . . . 0.0 112.761 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.82 -45.28 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.954 0.901 . . . . 0.0 111.019 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.54 -27.78 73.06 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 124.85 1.214 . . . . 0.0 113.847 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.2 mt -75.3 -49.49 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 118.597 1.199 . . . . 0.0 111.23 170.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -64.59 -52.61 56.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.304 0.957 . . . . 0.0 112.204 -174.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -75.27 -11.98 60.18 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -172.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.61 -42.51 88.34 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.575 0.75 . . . . 0.0 111.019 169.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -81.53 -28.8 33.79 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.766 1.227 . . . . 0.0 113.26 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -66.48 -44.75 81.8 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.977 -1.077 . . . . 0.0 111.237 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.86 -3.93 38.16 Favored Glycine 0 N--CA 1.473 1.146 0 C-N-CA 125.46 1.505 . . . . 0.0 114.852 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.19 -30.55 70.48 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.442 1.097 . . . . 0.0 111.787 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -131.09 -4.08 3.94 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.7 23.56 27.97 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.76 1.172 . . . . 0.0 113.717 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -69.76 168.46 14.98 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.21 1.404 . . . . 0.0 111.987 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -101.69 -141.16 0.35 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.431 1.092 . . . . 0.0 112.727 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -78.43 14.48 1.23 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.892 1.677 . . . . 0.0 115.135 -170.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -128.22 149.76 50.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.08 2.152 . . . . 0.0 110.948 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -120.43 137.53 54.27 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.822 1.249 . . . . 0.0 110.266 169.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.2 p -78.09 155.33 30.62 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.513 -0.742 . . . . 0.0 110.172 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -57.59 -33.81 68.58 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.635 -1.29 . . . . 0.0 114.185 -169.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.93 -28.66 39.71 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.9 -37.21 70.13 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 110.667 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.74 -43.83 98.09 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.656 1.182 . . . . 0.0 109.684 169.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -57.77 -44.73 86.39 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.811 -1.181 . . . . 0.0 111.807 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.13 -46.96 87.0 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.834 -1.079 . . . . 0.0 111.398 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.34 -49.12 73.04 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.872 1.214 . . . . 0.0 111.247 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -66.77 -44.09 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 119.035 0.834 . . . . 0.0 111.443 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -68.03 -37.82 81.81 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.873 1.215 . . . . 0.0 113.061 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -86.06 -41.28 14.93 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -87.24 -50.63 6.47 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.265 0.939 . . . . 0.0 111.571 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 mt -95.94 66.96 2.65 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.993 0.901 . . . . 0.0 108.799 -172.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -60.36 63.27 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 129.745 3.218 . . . . 0.0 115.784 -169.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.42 0.26 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 125.692 1.597 . . . . 0.0 113.93 170.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.51 26.39 0.89 Allowed Glycine 0 N--CA 1.475 1.241 0 C-N-CA 126.647 2.07 . . . . 0.0 116.343 -170.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.5 p -81.51 5.25 18.43 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.305 1.442 . . . . 0.0 113.465 170.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -158.77 163.77 36.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.941 1.697 . . . . 0.0 111.913 -170.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.13 111.36 11.46 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.45 0.7 . . . . 0.0 109.28 174.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -149.91 -0.54 0.45 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.01 -30.1 71.2 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.639 -1.288 . . . . 0.0 113.134 -170.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.2 -32.14 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.473 1.109 . . . . 0.0 112.739 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -81.03 -31.81 34.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.3 0.64 . . . . 0.0 111.124 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.7 mm -65.08 -42.37 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.911 1.232 . . . . 0.0 111.224 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.23 -22.34 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 120.25 1.386 . . . . 0.0 112.911 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -77.16 -37.57 53.59 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.102 0.865 . . . . 0.0 111.377 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.68 -33.47 75.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.724 0.81 . . . . 0.0 111.371 172.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 65.6 mtp -60.14 -40.29 89.29 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.931 0.787 . . . . 0.0 111.381 169.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.67 -30.6 71.32 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.209 1.004 . . . . 0.0 112.62 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -77.3 -23.79 51.03 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mt -80.34 -41.88 23.96 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.155 1.382 . . . . 0.0 111.707 170.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.91 -13.39 56.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.691 1.996 . . . . 0.0 112.942 173.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -53.54 -31.72 47.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.563 1.945 . . . . 0.0 112.809 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -79.64 -56.63 4.16 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.445 1.098 . . . . 0.0 111.905 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -143.31 124.9 14.87 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.907 1.683 . . . . 0.0 110.656 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -81.3 -37.68 28.0 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -169.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.47 -38.68 62.86 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.132 0.573 . . . . 0.0 111.947 -174.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.08 139.36 13.44 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.097 1.359 . . . . 0.0 110.165 172.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 54.6 t -93.85 121.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 124.871 1.269 . . . . 0.0 108.224 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -80.53 148.01 30.58 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.567 0.747 . . . . 0.0 112.033 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -52.43 -40.6 62.38 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -172.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.67 -46.56 89.22 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.518 0.599 . . . . 0.0 110.689 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -29.52 62.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.66 0.784 . . . . 0.0 111.926 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.35 -38.33 86.56 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.95 0.9 . . . . 0.0 109.797 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 51.5 mt -72.57 -35.23 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-O 118.033 -0.984 . . . . 0.0 112.491 172.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -56.87 -43.75 81.54 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 120.782 1.628 . . . . 0.0 111.156 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -64.6 -39.45 93.74 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 112.245 173.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.84 -24.11 66.82 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.039 -1.038 . . . . 0.0 112.405 172.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.25 -39.26 82.32 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.667 1.127 . . . . 0.0 112.091 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.06 82.3 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.088 0.944 . . . . 0.0 111.919 170.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.53 -43.01 93.59 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.013 0.925 . . . . 0.0 110.695 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.75 -35.21 77.45 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.46 1.104 . . . . 0.0 113.358 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 99.0 mtp -68.18 -32.59 72.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.356 0.98 . . . . 0.0 112.896 170.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.34 -33.04 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.775 0.716 . . . . 0.0 111.296 170.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -71.73 43.21 0.09 Allowed 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.535 1.534 . . . . 0.0 112.891 169.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -52.32 -27.53 15.72 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.446 3.099 . . . . 0.0 116.309 -170.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -62.82 -36.92 84.77 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.961 1.255 . . . . 0.0 112.244 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.06 -15.32 62.98 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.28 -0.887 . . . . 0.0 113.0 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.09 8.24 38.76 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.954 2.102 . . . . 0.0 111.807 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -114.93 -39.54 3.67 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.831 1.652 . . . . 0.0 111.136 171.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.256 0 C-N-CA 126.108 1.813 . . . . 0.0 113.9 173.837 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.911 0.386 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -71.45 157.6 37.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.803 1.241 . . . . 0.0 112.172 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -80.17 43.5 2.69 Favored Glycine 0 N--CA 1.475 1.259 0 C-N-CA 125.545 1.545 . . . . 0.0 113.974 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 36.1 tp -46.6 -63.75 0.93 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.344 2.257 . . . . 0.0 112.083 -175.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -50.66 -31.75 17.14 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 125.986 1.714 . . . . 0.0 114.342 -177.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -71.0 -20.72 62.38 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 43.8 t -94.43 -37.63 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.812 1.245 . . . . 0.0 108.558 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -69.79 -26.94 64.51 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.229 1.811 . . . . 0.0 112.141 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.8 ttmm -55.45 -29.15 58.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.436 1.095 . . . . 0.0 112.869 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.52 -17.4 64.65 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.228 -0.92 . . . . 0.0 113.207 176.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 20.8 mt -96.21 -42.55 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.359 1.464 . . . . 0.0 110.85 169.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -46.18 -45.32 16.67 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.039 1.336 . . . . 0.0 113.611 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.27 -12.2 54.96 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -111.16 -1.81 16.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.001 2.12 . . . . 0.0 114.337 176.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -66.1 134.65 34.26 Favored Glycine 0 N--CA 1.471 1.007 0 C-N-CA 124.251 0.929 . . . . 0.0 112.636 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.16 152.63 38.44 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.11 -22.65 61.17 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.295 1.838 . . . . 0.0 114.152 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -60.08 -19.89 55.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.513 1.051 . . . . 0.0 113.429 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 37.1 mtt -55.83 -47.83 76.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.96 1.254 . . . . 0.0 111.733 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -58.81 -38.65 79.09 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.808 0.843 . . . . 0.0 111.685 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -72.66 -33.93 66.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.191 0.996 . . . . 0.0 111.55 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 89.9 m -70.17 -48.5 57.01 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.401 1.88 . . . . 0.0 111.203 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.63 -44.99 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.198 0.599 . . . . 0.0 110.453 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.24 -54.42 47.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.183 0.593 . . . . 0.0 112.518 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -68.97 -18.13 64.03 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -79.65 -40.43 29.18 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.249 0.932 . . . . 0.0 112.021 169.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 38.5 t90 -72.84 -36.63 67.5 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.513 1.925 . . . . 0.0 112.701 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 2.6 p -54.08 -31.51 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.622 1.169 . . . . 0.0 112.95 -177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -61.67 -37.71 85.09 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.629 1.572 . . . . 0.0 112.875 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 54.7 m -104.58 0.07 28.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.092 0.957 . . . . 0.0 113.425 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.934 1.694 . . . . 0.0 113.436 -177.276 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.752 0.311 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -77.26 164.59 25.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.926 1.29 . . . . 0.0 112.419 173.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -174.67 -169.02 36.17 Favored Glycine 0 N--CA 1.472 1.085 0 C-N-CA 125.04 1.305 . . . . 0.0 113.468 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -38.36 67.58 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.019 0.927 . . . . 0.0 113.315 -175.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -56.81 -25.26 55.38 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.815 1.246 . . . . 0.0 113.802 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -72.38 -18.08 61.77 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 173.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.79 -37.96 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.037 1.335 . . . . 0.0 108.798 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.73 -33.71 76.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.012 1.325 . . . . 0.0 111.202 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -51.99 -36.26 49.23 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.119 1.367 . . . . 0.0 112.305 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . 0.456 ' HA ' ' HE2' ' D' ' 198' ' ' LYS . 11.0 mmpt? -69.0 -12.83 62.04 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.114 -1.616 . . . . 0.0 114.039 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.1 mt -95.29 -35.73 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.183 1.393 . . . . 0.0 110.219 169.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.47 -40.33 86.59 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.292 1.037 . . . . 0.0 111.265 174.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -85.08 -0.48 54.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.683 1.593 . . . . 0.0 113.641 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -96.66 -47.23 5.99 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.506 1.523 . . . . 0.0 108.969 169.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 76.74 168.28 28.18 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 118.654 2.222 . . . . 0.0 118.654 168.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -161.8 159.05 26.55 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.604 3.162 . . . . 0.0 108.231 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -112.57 -16.32 12.87 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.087 2.254 . . . . 0.0 117.087 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.77 -32.52 73.17 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.377 1.444 . . . . 0.0 113.162 -177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 11.0 ttm -50.1 -48.72 53.18 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.972 1.309 . . . . 0.0 109.929 168.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -78.77 -26.13 44.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.746 1.619 . . . . 0.0 111.417 -173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -75.12 -32.47 61.38 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.226 0.921 . . . . 0.0 111.592 170.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 60.4 m -69.86 -49.02 56.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.915 1.286 . . . . 0.0 110.92 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.1 -48.21 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.705 0.802 . . . . 0.0 110.767 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -53.09 -62.24 1.78 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.98 0.912 . . . . 0.0 111.817 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -62.76 -30.02 71.13 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.65 -1.281 . . . . 0.0 113.619 -176.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.24 -26.94 47.5 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -100.77 -21.98 15.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.246 1.018 . . . . 0.0 113.142 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 6.4 t -63.95 -24.16 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.295 1.038 . . . . 0.0 112.749 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -61.5 -22.72 65.36 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.188 0.995 . . . . 0.0 113.638 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 37.1 m -91.07 -4.68 56.11 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.663 1.185 . . . . 0.0 113.815 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 . . . . . 0 C--O 1.251 1.14 0 C-N-CA 125.34 1.456 . . . . 0.0 113.284 -169.644 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.721 -0.103 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.0 -49.55 0.05 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.745 1.618 . . . . 0.0 111.48 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.9 p -59.54 -29.5 5.96 Favored Pre-proline 0 CA--C 1.545 0.769 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -61.61 -45.94 15.95 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.56 2.174 . . . . 0.0 113.375 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.87 -38.6 57.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.889 0.768 . . . . 0.0 111.475 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.19 -46.82 82.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.895 1.278 . . . . 0.0 111.936 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -70.39 -20.52 62.93 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.14 -47.78 13.01 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.359 0.982 . . . . 0.0 112.666 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.0 pt -62.92 -33.94 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.235 -0.916 . . . . 0.0 110.943 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.58 75.37 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 118.816 -0.991 . . . . 0.0 113.434 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -51.82 65.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.995 1.397 . . . . 0.0 110.036 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.22 -37.79 84.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.048 0.939 . . . . 0.0 112.14 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -61.99 -48.28 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 119.699 1.136 . . . . 0.0 110.823 173.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.34 86.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.87 0.748 . . . . 0.0 112.946 -175.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.7 mt -64.45 -37.73 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.131 0.965 . . . . 0.0 112.115 171.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -77.99 -59.65 2.69 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.897 0.771 . . . . 0.0 112.629 -175.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -68.13 -22.5 64.87 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -168.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HE3' ' CE2' ' A' ' 19' ' ' TYR . 60.8 pttt -62.37 -30.77 71.42 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.268 -0.895 . . . . 0.0 112.641 173.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.43 ' CE2' ' HE3' ' A' ' 18' ' ' LYS . 84.7 m-85 -82.01 -40.81 21.58 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.236 -0.887 . . . . 0.0 112.373 169.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -62.53 -13.31 29.31 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.12 -0.19 61.84 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.434 1.016 . . . . 0.0 114.817 172.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -77.74 -42.69 33.31 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.982 1.391 . . . . 0.0 112.44 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -128.11 -31.99 2.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.784 1.634 . . . . 0.0 111.248 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.52 -171.78 45.27 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.189 1.852 . . . . 0.0 112.904 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -140.78 3.2 1.84 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.403 1.481 . . . . 0.0 113.842 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -133.95 -172.64 3.04 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.779 1.232 . . . . 0.0 113.157 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -75.34 37.47 0.13 Allowed 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 126.567 1.947 . . . . 0.0 114.107 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.0 m -141.81 131.26 23.78 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.639 1.975 . . . . 0.0 109.013 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.0 mt -91.88 137.4 32.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.164 1.386 . . . . 0.0 111.333 171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -78.88 154.42 29.76 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.515 -0.74 . . . . 0.0 109.14 168.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -56.4 -38.16 71.14 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 119.711 -1.868 . . . . 0.0 114.292 -173.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -68.23 -37.02 80.39 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.652 1.181 . . . . 0.0 112.53 173.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -67.49 -40.34 85.23 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.171 1.788 . . . . 0.0 110.558 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.0 tm? -63.51 -44.5 94.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.453 1.501 . . . . 0.0 110.717 169.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -60.0 -39.93 87.47 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.607 -1.308 . . . . 0.0 112.031 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -62.29 -45.18 94.42 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.06 172.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tt -51.49 -53.25 39.37 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.378 0.99 . . . . 0.0 111.053 170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.65 -47.46 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.903 0.774 . . . . 0.0 111.558 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -66.88 -32.65 74.06 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -83.16 -42.99 16.68 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -85.99 -43.73 12.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.962 0.801 . . . . 0.0 112.069 -172.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -107.06 63.12 0.63 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.104 1.361 . . . . 0.0 109.099 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.1 p -49.91 138.72 14.74 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.712 2.005 . . . . 0.0 114.045 -169.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -124.87 124.29 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.699 1.6 . . . . 0.0 108.989 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.41 -34.13 8.2 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.135 0.874 . . . . 0.0 112.985 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -81.71 64.97 6.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.275 1.43 . . . . 0.0 110.192 173.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -59.9 -9.24 2.77 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -169.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.98 -23.72 65.58 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.675 1.19 . . . . 0.0 111.482 169.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -67.93 -10.62 54.79 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.898 1.279 . . . . 0.0 113.142 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -58.86 -25.36 63.23 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.015 -1.678 . . . . 0.0 113.366 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.18 -29.84 71.1 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 113.188 169.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.59 -33.5 31.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.834 0.854 . . . . 0.0 110.681 170.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.9 mm -65.03 -39.33 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.023 175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.05 -26.11 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 CA-C-N 120.395 1.452 . . . . 0.0 112.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.16 -35.8 61.57 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.241 0.928 . . . . 0.0 112.554 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -68.02 -36.04 79.29 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.433 -0.792 . . . . 0.0 112.155 170.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.4 ttp -60.91 -43.27 98.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.617 1.167 . . . . 0.0 111.596 170.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -58.01 -43.79 86.89 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.208 1.003 . . . . 0.0 112.262 169.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.95 -36.4 84.28 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.932 0.787 . . . . 0.0 112.915 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.11 -40.42 74.9 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.073 1.349 . . . . 0.0 111.803 171.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -67.65 -19.4 65.19 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.277 1.831 . . . . 0.0 114.319 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -57.33 -18.99 19.69 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -71.21 -17.5 62.51 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -150.9 -116.79 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.545 1.138 . . . . 0.0 111.722 170.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -127.41 -47.64 1.44 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.79 1.632 . . . . 0.0 113.212 -169.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -141.27 4.59 1.82 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.269 1.828 . . . . 0.0 112.019 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.97 167.2 25.49 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.948 1.699 . . . . 0.0 112.815 -169.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.5 t -133.12 115.21 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.511 1.924 . . . . 0.0 109.875 -175.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -79.2 148.6 32.19 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.69 -0.631 . . . . 0.0 111.781 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -48.19 -50.68 28.26 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -70.92 -27.35 63.71 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.947 -1.096 . . . . 0.0 112.964 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -76.76 -34.5 58.04 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.602 0.637 . . . . 0.0 111.687 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -60.89 -42.5 98.12 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.343 -0.848 . . . . 0.0 110.535 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt -65.64 -37.91 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 121.369 -0.832 . . . . 0.0 111.847 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -62.1 -37.52 85.4 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.497 1.044 . . . . 0.0 111.671 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -65.11 -39.75 93.55 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.162 0.892 . . . . 0.0 112.061 171.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.25 -24.52 67.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.325 0.966 . . . . 0.0 112.281 171.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.34 -38.28 58.57 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.506 1.051 . . . . 0.0 112.929 169.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.32 81.33 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.047 0.923 . . . . 0.0 112.255 169.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.0 -42.85 89.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.123 0.969 . . . . 0.0 111.479 172.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.24 67.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.794 0.838 . . . . 0.0 112.629 172.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 49.3 ttm -80.66 -31.24 36.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.57 1.148 . . . . 0.0 113.384 172.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -65.16 -32.79 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.719 1.145 . . . . 0.0 111.45 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.63 52.38 0.39 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.14 1.376 . . . . 0.0 110.889 169.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -55.7 -12.81 1.38 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.883 2.473 . . . . 0.0 117.142 -169.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.88 -26.24 65.91 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.207 -1.558 . . . . 0.0 111.625 169.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.93 69.88 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.077 1.351 . . . . 0.0 113.371 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.16 -9.22 59.83 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.575 1.55 . . . . 0.0 112.291 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -125.04 10.59 8.19 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 113.362 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.898 1.713 . . . . 0.0 114.46 -179.804 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.9 mtp . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.73 -67.22 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.783 2.033 . . . . 0.0 114.426 -171.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.8 m -59.11 -46.13 99.37 Favored Pre-proline 0 N--CA 1.478 0.935 0 CA-C-O 117.352 -1.308 . . . . 0.0 114.212 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -53.27 -40.57 77.23 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 123.849 3.033 . . . . 0.0 114.696 170.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.45 -43.7 55.02 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.457 1.026 . . . . 0.0 111.656 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.04 -38.03 87.19 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.303 1.441 . . . . 0.0 112.03 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -72.39 -28.55 63.07 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.55 -43.99 30.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.728 1.149 . . . . 0.0 112.861 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.9 pt -60.89 -35.12 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 119.538 1.063 . . . . 0.0 110.129 169.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.4 -17.55 70.64 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.731 1.158 . . . . 0.0 114.214 173.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -53.47 10.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.087 1.444 . . . . 0.0 109.882 171.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.69 -42.31 75.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.827 0.851 . . . . 0.0 110.943 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.444 HD12 ' CZ ' ' B' ' 70' ' ' PHE . 5.6 mm -76.05 -35.68 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 118.641 0.655 . . . . 0.0 112.598 178.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.23 80.25 Favored Glycine 0 N--CA 1.469 0.893 0 C-N-CA 124.442 1.02 . . . . 0.0 112.226 175.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -73.65 -60.76 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.077 0.951 . . . . 0.0 109.248 169.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -53.6 -51.02 64.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.202 0.91 . . . . 0.0 113.14 -172.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -70.91 -19.67 62.57 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -169.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.21 -45.6 72.9 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.102 0.961 . . . . 0.0 111.556 169.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -80.49 -33.24 36.71 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.2 p -71.4 -43.18 67.28 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.419 1.009 . . . . 0.0 111.481 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.69 -20.55 64.11 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.73 1.157 . . . . 0.0 113.889 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -59.59 -31.61 69.62 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 118.571 1.186 . . . . 0.0 111.993 170.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -94.64 3.98 54.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.375 1.47 . . . . 0.0 113.16 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.53 -143.96 16.02 Favored Glycine 0 C--N 1.345 1.035 0 C-N-CA 125.185 1.374 . . . . 0.0 113.7 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -74.86 -15.43 60.72 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -170.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -76.18 122.35 24.21 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.425 -0.797 . . . . 0.0 111.476 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -83.12 51.84 2.05 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.582 1.553 . . . . 0.0 113.214 -176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.3 p -133.86 163.64 29.06 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.946 1.698 . . . . 0.0 111.464 -176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.0 mt -121.07 126.87 50.93 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.128 1.371 . . . . 0.0 109.491 169.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -78.36 156.85 29.31 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 169.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -60.62 -26.49 67.06 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.767 -1.208 . . . . 0.0 114.174 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -78.52 -35.69 45.91 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.949 -1.094 . . . . 0.0 113.588 170.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -67.68 -37.3 82.13 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.703 0.683 . . . . 0.0 111.292 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.06 -43.5 86.95 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.175 1.39 . . . . 0.0 111.276 169.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -62.77 -35.69 80.66 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.692 -1.255 . . . . 0.0 111.803 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -46.37 90.14 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.051 1.34 . . . . 0.0 111.754 172.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -57.6 -53.02 62.95 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.769 1.228 . . . . 0.0 111.581 170.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.9 mt -61.25 -47.43 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 119.339 0.972 . . . . 0.0 111.585 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.64 -24.38 67.02 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.862 1.21 . . . . 0.0 112.995 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -86.56 -56.49 3.4 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -88.28 -15.84 34.71 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 -169.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.5 mt -138.36 56.75 1.72 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.429 1.892 . . . . 0.0 109.785 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.8 t -58.9 152.0 20.43 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 122.185 0.993 . . . . 0.0 111.73 -177.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 pt -115.11 148.93 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.696 1.998 . . . . 0.0 112.23 -169.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.59 -10.16 84.71 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.342 0.973 . . . . 0.0 115.155 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 39.9 t -170.17 148.99 3.42 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.538 1.935 . . . . 0.0 109.965 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -64.66 -8.83 15.95 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.753 -1.217 . . . . 0.0 114.229 173.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.53 -22.38 66.95 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.338 0.972 . . . . 0.0 111.572 168.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -78.56 -20.44 50.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.546 1.138 . . . . 0.0 112.706 172.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.03 -35.53 78.85 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.458 -1.401 . . . . 0.0 111.525 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.72 -28.07 68.38 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.019 1.328 . . . . 0.0 113.013 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.89 -39.18 24.23 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.484 1.114 . . . . 0.0 111.016 171.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.22 -42.32 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.669 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.83 -29.15 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 120.286 1.403 . . . . 0.0 113.034 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -74.3 -35.95 63.72 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.058 0.845 . . . . 0.0 112.64 171.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tt -67.12 -37.08 83.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.331 -0.856 . . . . 0.0 111.811 172.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -60.4 -39.11 86.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.978 1.311 . . . . 0.0 111.467 170.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -65.15 -38.07 89.42 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.066 0.946 . . . . 0.0 113.096 169.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.19 -20.8 62.23 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.794 1.179 . . . . 0.0 113.811 173.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.5 -44.3 19.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.46 1.104 . . . . 0.0 110.663 169.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -57.69 -38.91 76.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.525 1.13 . . . . 0.0 112.576 171.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -56.31 -23.2 35.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.158 2.183 . . . . 0.0 113.689 171.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -78.43 -5.1 51.47 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.688 1.195 . . . . 0.0 113.176 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -153.26 -135.35 0.06 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 125.95 1.7 . . . . 0.0 111.189 172.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -118.49 -23.59 7.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.047 1.739 . . . . 0.0 114.71 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -172.12 -32.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.905 1.682 . . . . 0.0 112.207 -173.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -140.39 140.14 35.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.421 1.488 . . . . 0.0 110.745 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.1 m -95.44 134.84 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.25 1.02 . . . . 0.0 110.059 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -80.58 163.83 23.38 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.356 0.598 . . . . 0.0 112.126 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.444 ' CZ ' HD12 ' B' ' 13' ' ' ILE . 23.7 t80 -42.18 -46.8 4.51 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.877 2.071 . . . . 0.0 114.101 172.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.8 -45.33 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.887 0.767 . . . . 0.0 111.374 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.48 -26.94 61.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.577 0.751 . . . . 0.0 112.496 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.58 -42.29 99.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.816 -0.552 . . . . 0.0 111.273 169.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.29 -42.78 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 O-C-N 121.737 -0.602 . . . . 0.0 110.666 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.5 m -57.75 -45.48 85.84 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.639 0.776 . . . . 0.0 111.56 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -66.58 -38.41 86.97 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.972 0.805 . . . . 0.0 112.022 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 mt -66.58 -28.86 68.85 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.917 1.235 . . . . 0.0 112.372 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.18 -40.74 96.98 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.93 0.776 . . . . 0.0 112.092 169.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.07 84.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.373 0.669 . . . . 0.0 111.957 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.54 -44.74 89.71 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.049 -1.032 . . . . 0.0 111.151 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.13 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.889 0.876 . . . . 0.0 112.571 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 46.1 tpp -68.77 -35.83 77.56 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.146 0.978 . . . . 0.0 111.127 169.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.63 -27.36 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.346 -0.846 . . . . 0.0 111.415 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -74.62 43.75 0.19 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 126.144 1.777 . . . . 0.0 111.33 170.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -56.19 -23.82 37.76 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.27 -35.63 80.9 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.183 1.81 . . . . 0.0 111.789 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.47 -20.2 63.74 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -91.77 11.92 23.07 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.955 2.102 . . . . 0.0 112.762 170.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -121.83 -36.88 2.94 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.639 1.176 . . . . 0.0 111.761 170.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.301 0 C-N-CA 125.966 1.746 . . . . 0.0 112.856 171.835 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.23 157.43 31.46 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.286 1.434 . . . . 0.0 112.743 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 152.97 -37.49 0.76 Allowed Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.185 1.374 . . . . 0.0 114.157 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.74 -63.33 1.33 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 111.123 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -47.48 -42.38 22.69 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.45 1.5 . . . . 0.0 112.555 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.02 -13.22 45.16 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.28 -29.1 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.984 1.265 . . . . 0.0 109.788 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 11.0 mp -80.65 -30.1 36.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.864 2.066 . . . . 0.0 111.488 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -56.36 -32.32 64.63 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.632 1.173 . . . . 0.0 111.994 169.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -61.52 -30.27 70.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 13.4 mt -81.24 -40.67 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 119.025 0.829 . . . . 0.0 111.108 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.3 -40.0 73.63 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.163 0.892 . . . . 0.0 112.739 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.37 -4.24 38.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.661 1.584 . . . . 0.0 114.292 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -109.34 7.18 25.0 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.819 2.048 . . . . 0.0 111.507 170.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -75.44 169.06 54.78 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.366 1.936 . . . . 0.0 114.085 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -95.48 158.71 15.33 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -169.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.63 -10.37 55.64 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.162 1.785 . . . . 0.0 113.17 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -62.99 -23.19 67.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.928 1.291 . . . . 0.0 113.814 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 7.8 mmt -53.17 -47.42 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.558 1.072 . . . . 0.0 112.965 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -65.48 -23.38 66.89 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.434 -0.791 . . . . 0.0 113.037 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -81.97 -51.68 7.82 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.011 1.724 . . . . 0.0 109.562 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 90.4 m -61.7 -51.82 66.82 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.974 2.11 . . . . 0.0 111.721 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.5 mm -63.48 -42.9 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.687 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.96 -54.89 42.08 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.356 0.98 . . . . 0.0 112.104 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -63.83 -40.76 97.36 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.223 -0.923 . . . . 0.0 112.122 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.61 76.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.931 0.892 . . . . 0.0 113.036 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -76.31 -35.16 58.96 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.151 0.887 . . . . 0.0 112.691 173.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 35.7 t -77.33 -31.8 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.211 1.005 . . . . 0.0 113.294 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -75.33 -4.08 37.2 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -169.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 2.2 m -59.36 -46.37 88.83 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -169.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.808 2.043 . . . . 0.0 113.569 179.208 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 57.4 p . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -161.85 150.43 15.37 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.641 1.576 . . . . 0.0 109.742 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -78.71 49.4 3.4 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.664 1.602 . . . . 0.0 112.645 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -52.21 -44.27 64.68 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.069 1.748 . . . . 0.0 113.769 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -26.84 41.29 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.615 1.166 . . . . 0.0 113.912 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -77.91 -16.42 58.23 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.307 0.958 . . . . 0.0 113.447 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 58.8 t -91.87 -38.92 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.28 175.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.31 -34.02 77.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.506 1.522 . . . . 0.0 112.025 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.76 -29.81 41.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 113.199 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -67.18 -21.49 65.78 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.531 -0.731 . . . . 0.0 112.935 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.3 mt -91.65 -37.5 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.136 1.374 . . . . 0.0 110.537 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.71 -38.61 69.94 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.747 -1.22 . . . . 0.0 112.985 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -6.72 35.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -101.02 -44.58 5.67 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.425 1.49 . . . . 0.0 109.146 169.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 85.69 165.37 40.45 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 126.038 1.78 . . . . 0.0 116.679 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -75.04 169.59 17.69 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.216 1.806 . . . . 0.0 111.741 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -152.77 -33.38 0.13 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 170.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -93.42 -23.62 18.34 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.175 0.99 . . . . 0.0 112.61 173.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 19.4 ttt -53.03 -50.24 64.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.394 1.078 . . . . 0.0 111.495 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -61.77 -30.79 71.03 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.399 1.08 . . . . 0.0 113.262 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -70.21 -42.82 71.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.047 0.939 . . . . 0.0 110.378 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 25.6 m -67.38 -45.82 75.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.747 0.819 . . . . 0.0 111.575 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 87.3 mt -55.85 -46.45 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.37 0.668 . . . . 0.0 111.073 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -57.41 -59.49 5.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.218 0.607 . . . . 0.0 111.557 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -62.17 -41.45 98.33 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.744 -1.223 . . . . 0.0 112.555 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.09 71.26 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -76.06 -41.36 50.85 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.64 0.776 . . . . 0.0 112.851 170.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 42.8 t -70.44 -38.65 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.881 1.273 . . . . 0.0 113.656 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.09 -9.78 56.6 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -169.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 51.5 m -100.37 6.91 44.57 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--O 1.253 1.286 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -176.065 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.98 -50.32 0.7 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.829 3.252 . . . . 0.0 114.048 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -56.51 -39.01 74.63 Favored Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -67.14 -41.83 8.9 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 122.248 1.965 . . . . 0.0 112.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 tp -74.76 -40.31 61.29 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.798 0.726 . . . . 0.0 111.17 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.06 -35.35 80.45 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.454 1.102 . . . . 0.0 112.664 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -73.63 -23.28 59.86 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -47.55 14.57 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.38 0.991 . . . . 0.0 112.147 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 pt -63.68 -32.75 58.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 120.996 -1.065 . . . . 0.0 111.142 170.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.95 -26.81 70.49 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.155 0.883 . . . . 0.0 113.478 171.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -51.99 44.01 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.295 1.047 . . . . 0.0 110.046 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -59.51 -38.43 80.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.023 0.929 . . . . 0.0 112.212 175.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.03 -48.51 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.184 0.902 . . . . 0.0 110.744 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.18 -27.92 73.29 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.424 1.011 . . . . 0.0 113.528 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 mt -74.96 -51.63 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 124.492 1.117 . . . . 0.0 111.309 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -70.58 -51.18 30.18 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.668 1.122 . . . . 0.0 113.081 -173.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -68.66 -22.7 64.37 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -169.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -42.53 63.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.721 1.209 . . . . 0.0 112.687 169.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -83.43 -32.35 26.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 p -72.43 -41.99 65.56 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.318 1.417 . . . . 0.0 111.404 171.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.41 -11.01 64.11 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.416 1.484 . . . . 0.0 114.401 175.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.38 -39.67 95.15 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.658 1.229 . . . . 0.0 111.54 170.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -94.52 -20.22 19.84 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.71 1.204 . . . . 0.0 112.224 170.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.67 20.84 15.76 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.971 1.272 . . . . 0.0 114.199 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -76.09 150.2 37.31 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.403 1.102 . . . . 0.0 112.59 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.73 -43.35 93.67 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.76 20.36 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 118.183 2.66 . . . . 0.0 118.183 -169.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.58 150.13 47.77 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.667 -1.271 . . . . 0.0 113.007 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -123.25 134.59 54.09 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.794 2.038 . . . . 0.0 110.211 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.8 p -79.5 168.65 19.14 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.485 -0.76 . . . . 0.0 112.47 171.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -53.97 -47.06 71.76 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.114 -0.991 . . . . 0.0 112.831 176.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -73.81 -35.09 64.84 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.355 -0.84 . . . . 0.0 112.465 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.53 -30.84 69.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.506 -0.746 . . . . 0.0 111.752 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.34 -45.1 70.25 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.175 0.99 . . . . 0.0 110.77 169.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.56 -35.96 75.25 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.188 -0.945 . . . . 0.0 112.101 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.75 -51.26 69.06 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 117.903 -1.046 . . . . 0.0 111.161 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 tt -49.59 -47.8 49.18 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.322 1.419 . . . . 0.0 111.339 173.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.2 mt -67.44 -49.37 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 119.187 0.903 . . . . 0.0 112.184 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -69.89 -27.54 64.89 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.848 0.749 . . . . 0.0 112.852 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -86.91 -48.13 8.41 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.976 1.262 . . . . 0.0 113.688 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -87.04 -46.3 9.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 118.827 0.74 . . . . 0.0 112.259 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -82.78 -26.79 31.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.711 0.687 . . . . 0.0 110.803 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . 0.306 6.0 t 50.97 40.34 25.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 127.769 2.428 . . . . 0.0 113.816 169.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 pp -70.79 -12.22 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.179 1.391 . . . . 0.0 113.899 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.7 149.89 26.15 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.9 1.714 . . . . 0.0 113.654 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.2 p -86.2 30.09 0.71 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.428 1.491 . . . . 0.0 113.57 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -72.27 -172.67 0.95 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.698 1.999 . . . . 0.0 113.037 172.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.8 mt -57.65 -26.74 62.08 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 120.953 -1.092 . . . . 0.0 113.535 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.87 -23.08 63.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.043 1.337 . . . . 0.0 113.321 174.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.65 -23.67 66.22 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.869 -1.144 . . . . 0.0 112.998 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.93 -26.52 67.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.485 1.114 . . . . 0.0 112.697 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.85 -35.79 28.96 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.741 0.817 . . . . 0.0 110.366 169.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -63.62 -40.52 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-O 117.897 -1.049 . . . . 0.0 111.967 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.6 m -62.62 -34.25 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 120.04 1.291 . . . . 0.0 112.028 174.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -73.47 -36.57 65.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.179 0.899 . . . . 0.0 112.672 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.29 -39.26 92.38 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.689 1.131 . . . . 0.0 111.991 171.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -62.26 -37.2 84.56 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.747 1.219 . . . . 0.0 111.805 172.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.03 -27.3 60.88 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.586 1.154 . . . . 0.0 113.457 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -75.05 -26.96 59.81 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.079 1.352 . . . . 0.0 112.474 170.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.73 -51.55 40.21 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.577 1.151 . . . . 0.0 109.497 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.87 -22.21 35.21 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.002 1.721 . . . . 0.0 113.83 173.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -61.3 -21.46 63.98 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.557 1.543 . . . . 0.0 113.078 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -84.8 -31.27 23.98 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.532 1.133 . . . . 0.0 112.815 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -161.62 125.78 3.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.741 1.616 . . . . 0.0 111.521 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -67.5 129.97 41.58 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.93 1.292 . . . . 0.0 114.051 -171.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 78.51 -45.46 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 129.887 3.275 . . . . 0.0 112.206 171.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -136.47 120.8 18.01 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 109.484 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.0 m -97.65 123.95 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.164 1.385 . . . . 0.0 110.196 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.16 155.41 30.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.298 0.57 . . . . 0.0 110.123 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -50.73 -34.91 28.89 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.48 1.512 . . . . 0.0 114.359 -177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -62.72 -45.6 91.96 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.084 -1.01 . . . . 0.0 112.163 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.6 -32.13 63.94 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.812 0.845 . . . . 0.0 111.709 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.2 -47.48 85.94 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.574 0.75 . . . . 0.0 111.166 169.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -66.21 -38.66 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.569 174.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.9 m -57.04 -42.96 81.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.473 1.033 . . . . 0.0 111.556 174.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -68.96 -35.27 76.57 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.04 -28.96 69.84 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.629 1.104 . . . . 0.0 111.656 169.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.39 81.04 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.213 0.911 . . . . 0.0 111.818 169.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.29 85.53 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.268 1.034 . . . . 0.0 111.901 170.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -53.85 -50.46 66.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.732 1.151 . . . . 0.0 110.876 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.67 82.81 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.586 0.755 . . . . 0.0 113.026 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 ttp -74.64 -33.7 62.59 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.104 1.361 . . . . 0.0 113.25 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.8 mm -62.93 -39.17 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 110.091 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -74.5 50.39 0.42 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.041 1.737 . . . . 0.0 113.971 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -49.75 -24.71 2.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.092 2.157 . . . . 0.0 115.559 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -54.86 -31.55 59.72 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.755 1.161 . . . . 0.0 112.67 170.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.51 -27.69 58.86 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.092 -1.005 . . . . 0.0 113.167 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -76.09 -34.37 59.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.459 1.104 . . . . 0.0 110.913 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.44 -42.23 65.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.038 0.935 . . . . 0.0 112.434 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 C-N-CA 125.62 1.581 . . . . 0.0 113.315 178.18 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.85 73.11 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -44.9 99.9 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-O 117.532 -1.223 . . . . 0.0 114.19 -178.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -53.51 -38.21 83.23 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 123.971 3.114 . . . . 0.0 114.652 169.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.1 tp -75.37 -40.64 57.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.164 0.893 . . . . 0.0 111.61 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -61.95 -36.82 82.55 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.414 1.085 . . . . 0.0 112.196 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -72.35 -31.33 65.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.439 170.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.09 -45.75 59.46 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.809 1.186 . . . . 0.0 112.207 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 22.3 pt -64.69 -34.72 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.206 -0.933 . . . . 0.0 110.755 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.01 -32.12 79.07 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.711 1.148 . . . . 0.0 112.838 172.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -49.66 63.78 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.55 1.14 . . . . 0.0 110.902 174.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.42 -40.75 83.32 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.808 0.843 . . . . 0.0 111.502 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.51 -45.88 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.541 0.609 . . . . 0.0 110.887 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.21 -28.95 67.23 Favored Glycine 0 N--CA 1.47 0.903 0 C-N-CA 124.708 1.147 . . . . 0.0 113.997 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.48 -39.82 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.692 1.246 . . . . 0.0 112.113 171.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -71.34 -59.42 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.976 0.807 . . . . 0.0 112.176 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -72.53 -20.63 61.31 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -51.77 -38.79 56.95 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.221 1.408 . . . . 0.0 112.62 169.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -76.1 -22.13 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -76.26 -36.14 58.61 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.051 -1.031 . . . . 0.0 110.543 168.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.42 -14.34 48.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 126.208 1.861 . . . . 0.0 114.503 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.45 -37.84 79.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.547 1.139 . . . . 0.0 111.236 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -102.68 -18.93 14.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.389 1.476 . . . . 0.0 112.337 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.07 23.69 43.97 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.161 1.362 . . . . 0.0 113.003 -170.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -84.46 172.99 11.22 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.878 1.271 . . . . 0.0 113.245 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.38 -176.37 1.49 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.46 49.82 0.5 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.619 1.968 . . . . 0.0 114.407 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -147.49 139.78 24.48 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.887 1.675 . . . . 0.0 110.537 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.42 144.17 46.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.79 1.236 . . . . 0.0 110.904 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.9 p -77.83 160.75 28.13 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.021 -1.049 . . . . 0.0 110.233 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -59.28 -26.22 64.77 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.698 -1.251 . . . . 0.0 113.782 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -81.09 -37.77 28.4 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.044 -1.035 . . . . 0.0 113.073 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.86 -33.82 76.44 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.665 1.12 . . . . 0.0 110.943 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.68 -39.03 90.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.188 0.995 . . . . 0.0 110.553 169.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -59.21 -41.55 88.84 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.788 1.177 . . . . 0.0 111.608 171.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.89 -40.2 94.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 118.774 0.716 . . . . 0.0 111.998 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.35 -52.77 63.82 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.133 0.879 . . . . 0.0 110.511 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -60.64 -37.35 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.309 1.043 . . . . 0.0 112.58 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.69 -26.71 66.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 120.124 1.329 . . . . 0.0 112.554 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -85.08 -47.45 10.18 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.674 1.124 . . . . 0.0 111.628 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -73.87 -49.96 22.52 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.442 1.097 . . . . 0.0 111.772 -169.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.53 55.51 0.91 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.877 2.071 . . . . 0.0 111.06 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.8 t -61.06 139.84 57.98 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.666 0.746 . . . . 0.0 110.394 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.43 HD12 ' H ' ' B' ' 44' ' ' ILE . 0.2 OUTLIER -99.04 -7.21 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 125.302 1.441 . . . . 0.0 111.424 176.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.58 -133.34 15.66 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.51 1.053 . . . . 0.0 112.195 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.9 p -76.44 -17.49 59.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.474 1.11 . . . . 0.0 113.828 175.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.68 154.26 40.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.371 1.468 . . . . 0.0 111.509 173.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -83.9 -112.31 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.047 1.339 . . . . 0.0 111.984 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 71.89 1.09 3.77 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.806 2.442 . . . . 0.0 114.233 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.6 -28.18 69.71 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.094 -1.628 . . . . 0.0 113.185 -175.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.57 -28.75 70.14 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.748 1.219 . . . . 0.0 113.121 170.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -80.99 -36.66 30.43 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.98 0.912 . . . . 0.0 110.692 170.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.2 mm -58.75 -48.56 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.793 173.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.2 m -64.28 -26.65 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.336 1.426 . . . . 0.0 112.581 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.52 -38.61 59.27 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.554 1.07 . . . . 0.0 112.283 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -40.68 88.48 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 169.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 57.9 mtm -69.49 -31.69 70.1 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.55 -35.96 80.06 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.505 1.122 . . . . 0.0 111.971 170.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -71.38 -28.38 63.99 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.116 -0.99 . . . . 0.0 112.918 171.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.99 -48.17 46.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.133 0.973 . . . . 0.0 110.115 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.04 -31.67 72.86 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 126.169 1.788 . . . . 0.0 113.483 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 -54.78 -22.03 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.362 1.465 . . . . 0.0 114.356 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.48 -18.61 61.09 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -141.24 -158.55 0.87 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.093 2.157 . . . . 0.0 111.395 -174.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -101.73 -30.17 11.47 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.664 1.586 . . . . 0.0 114.205 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -173.56 -35.51 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.773 1.629 . . . . 0.0 112.966 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -107.31 125.62 51.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.415 1.086 . . . . 0.0 109.625 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.62 119.33 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.801 2.04 . . . . 0.0 108.787 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -78.55 153.19 31.44 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.583 0.753 . . . . 0.0 111.617 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -47.46 -41.84 21.38 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.367 1.867 . . . . 0.0 115.07 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -64.03 -43.36 95.81 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.539 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -71.9 -34.9 69.51 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.757 0.708 . . . . 0.0 111.397 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.44 -42.95 93.09 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 170.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.6 mt -70.78 -38.11 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-O 118.068 -0.968 . . . . 0.0 112.325 175.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.3 m -56.17 -41.77 76.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.187 1.358 . . . . 0.0 111.243 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -66.91 -38.46 86.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.23 -23.34 66.6 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.581 1.082 . . . . 0.0 112.272 170.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.5 -41.16 96.41 Favored Glycine 0 N--CA 1.469 0.855 0 CA-C-N 119.514 1.052 . . . . 0.0 112.651 170.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.71 75.89 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 112.455 171.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 tp -66.89 -38.5 86.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.605 0.762 . . . . 0.0 111.832 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.42 97.25 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.96 -1.088 . . . . 0.0 111.286 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.9 -35.94 77.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -35.05 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.689 1.131 . . . . 0.0 112.746 178.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -74.02 50.82 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.269 1.028 . . . . 0.0 111.784 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.39 -23.87 51.91 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.947 1.699 . . . . 0.0 114.385 -169.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -50.65 -37.31 40.0 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.967 1.307 . . . . 0.0 112.421 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.94 -27.77 61.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.477 1.111 . . . . 0.0 113.18 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.38 -39.33 39.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 110.259 172.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -64.09 -43.26 95.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.536 1.135 . . . . 0.0 112.503 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.371 0 C-N-CA 125.817 1.675 . . . . 0.0 113.964 179.488 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.83 -14.32 60.67 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.908 -1.12 . . . . 0.0 113.041 170.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 80.56 77.34 0.98 Allowed Glycine 0 N--CA 1.472 1.062 0 C-N-CA 124.635 1.112 . . . . 0.0 111.361 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -54.34 -35.51 62.8 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -170.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.29 -31.57 21.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.222 1.409 . . . . 0.0 113.419 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.1 -19.4 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 64.7 t -97.23 -36.81 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.573 1.549 . . . . 0.0 109.292 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.79 -36.41 83.03 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.47 1.508 . . . . 0.0 110.924 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -54.55 -33.56 60.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.559 1.143 . . . . 0.0 113.132 172.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.52 -20.94 66.03 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.153 -0.967 . . . . 0.0 113.013 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 58.2 mt -91.53 -41.97 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 125.398 1.479 . . . . 0.0 110.799 172.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -50.98 -43.38 60.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.978 0.911 . . . . 0.0 113.192 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.2 -1.18 48.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -110.16 -41.0 4.54 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.473 1.509 . . . . 0.0 113.482 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -124.11 132.32 8.29 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.795 1.188 . . . . 0.0 114.533 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -172.76 126.47 0.48 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.794 2.437 . . . . 0.0 109.99 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -164.42 -59.92 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.544 1.138 . . . . 0.0 112.654 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.29 -25.05 60.51 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -171.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 22.8 mmt -52.66 -47.89 66.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.898 0.879 . . . . 0.0 111.243 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -65.94 -19.46 65.87 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.778 1.231 . . . . 0.0 112.858 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -85.59 -47.22 10.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.139 1.376 . . . . 0.0 111.819 172.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 62.2 m -71.79 -49.78 35.7 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.311 1.444 . . . . 0.0 112.458 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.7 -34.19 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.835 0.743 . . . . 0.0 111.66 -177.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -60.39 -28.85 68.56 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.198 0.999 . . . . 0.0 113.328 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -99.2 -38.08 9.04 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 172.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.33 -32.53 66.8 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -171.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -82.43 -14.46 55.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.747 1.219 . . . . 0.0 113.391 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 44.6 t -96.86 -37.69 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 126.352 1.861 . . . . 0.0 111.554 -175.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.73 -8.62 10.95 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.104 2.161 . . . . 0.0 114.096 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 1.1 m -62.66 -20.22 64.6 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.917 1.687 . . . . 0.0 113.613 169.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.839 2.056 . . . . 0.0 112.444 -169.719 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 49.3 p . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 119.32 -0.371 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -81.55 154.66 26.13 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.794 1.238 . . . . 0.0 112.106 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -94.24 148.23 18.91 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.907 1.242 . . . . 0.0 110.69 169.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.7 pp -54.93 -44.15 74.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.286 0.634 . . . . 0.0 112.546 -175.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -31.61 69.62 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.29 1.436 . . . . 0.0 113.42 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -81.29 -16.46 52.45 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.557 1.071 . . . . 0.0 113.328 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.0 t -87.79 -38.26 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.127 1.371 . . . . 0.0 109.738 171.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 38.4 mt -68.71 -32.5 72.34 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.765 1.626 . . . . 0.0 111.379 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -56.03 -45.4 79.18 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.345 1.058 . . . . 0.0 112.127 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -77.09 -12.97 60.01 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 80.3 mt -87.18 -43.63 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.845 1.258 . . . . 0.0 110.967 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -54.36 -39.6 67.31 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.452 1.501 . . . . 0.0 113.102 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.27 -1.32 3.24 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.106 1.362 . . . . 0.0 114.642 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.15 -16.8 56.1 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.295 1.038 . . . . 0.0 113.0 169.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 112.56 -173.28 15.19 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.961 1.744 . . . . 0.0 114.607 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -163.14 162.27 25.52 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.606 1.962 . . . . 0.0 111.76 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -155.39 -61.79 0.11 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.786 1.235 . . . . 0.0 112.279 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.73 -26.81 67.45 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -59.58 -52.11 66.94 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.853 0.861 . . . . 0.0 109.86 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -60.02 -28.36 67.67 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.124 -0.985 . . . . 0.0 112.778 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -76.29 -25.89 55.32 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.775 0.716 . . . . 0.0 112.606 175.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 27.9 m -97.1 -47.2 5.87 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.302 1.441 . . . . 0.0 112.838 -176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.3 mm -54.3 -49.7 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.453 1.101 . . . . 0.0 111.317 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -53.58 -38.19 63.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.294 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -69.54 -25.4 64.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.412 1.085 . . . . 0.0 113.775 -176.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -90.46 -35.0 15.38 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.244 1.018 . . . . 0.0 111.393 169.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -80.34 -20.66 43.7 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.417 1.487 . . . . 0.0 113.335 -169.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.62 -37.32 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 124.277 1.031 . . . . 0.0 112.555 169.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -79.21 -11.79 59.96 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.288 1.435 . . . . 0.0 113.129 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 14.2 m -79.33 -1.35 36.45 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.497 -1.377 . . . . 0.0 113.082 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.671 1.589 . . . . 0.0 112.682 -173.807 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.76 14.18 0.35 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.142 1.377 . . . . 0.0 114.354 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -40.2 -44.46 4.28 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -174.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -70.69 -30.5 17.88 Favored 'Trans proline' 0 C--N 1.356 0.97 0 CA-C-N 122.805 2.037 . . . . 0.0 113.477 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -82.02 -39.3 23.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.804 1.184 . . . . 0.0 111.666 169.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -56.93 -38.27 72.67 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.095 . . . . 0.0 112.558 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -67.03 -29.14 68.87 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.28 10.09 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.335 0.971 . . . . 0.0 112.789 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . 0.252 10.6 pt -66.86 -26.51 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 120.812 -1.18 . . . . 0.0 111.588 174.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.85 -22.39 79.11 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.652 1.12 . . . . 0.0 113.272 169.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -51.05 56.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.285 1.542 . . . . 0.0 109.679 171.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -57.62 -41.52 81.47 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.102 0.961 . . . . 0.0 111.542 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.54 -45.98 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.274 0.943 . . . . 0.0 111.406 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.51 -32.63 82.26 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.728 1.156 . . . . 0.0 112.719 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.08 -55.54 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 CA-C-N 118.436 1.118 . . . . 0.0 110.294 169.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -59.1 -55.05 40.02 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 125.252 1.421 . . . . 0.0 114.563 -169.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -66.75 -22.25 66.05 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -168.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -55.73 -44.6 77.67 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.695 0.679 . . . . 0.0 111.681 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -81.58 -36.24 29.24 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.945 1.298 . . . . 0.0 112.52 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -61.58 -24.22 66.52 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.54 1.064 . . . . 0.0 113.704 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 14.12 65.71 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.594 1.569 . . . . 0.0 115.098 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -74.58 -53.34 9.59 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.37 1.585 . . . . 0.0 110.982 173.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -99.07 94.83 6.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.445 1.098 . . . . 0.0 109.83 173.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.16 -142.02 31.01 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.03 0.824 . . . . 0.0 111.809 -175.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -143.74 127.54 17.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.081 1.352 . . . . 0.0 109.932 170.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -168.92 173.84 6.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.333 1.453 . . . . 0.0 112.601 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 30.03 4.47 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.943 2.097 . . . . 0.0 113.025 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m -143.73 152.5 41.36 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.016 2.127 . . . . 0.0 111.29 -169.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.2 mt -116.13 134.04 55.37 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.083 1.753 . . . . 0.0 111.073 171.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.6 p -79.62 170.76 16.08 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.335 -0.853 . . . . 0.0 110.838 168.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -55.25 -49.87 70.92 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.338 -1.476 . . . . 0.0 113.299 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -70.01 -33.99 72.72 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.72 -33.71 74.4 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.241 1.416 . . . . 0.0 111.438 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.47 HD11 HD13 ' A' ' 60' ' ' LEU . 2.6 tm? -71.07 -44.17 66.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.852 1.261 . . . . 0.0 110.872 169.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -40.87 76.6 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.745 -1.222 . . . . 0.0 111.055 176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.27 -51.58 68.77 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.727 1.211 . . . . 0.0 111.651 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.21 -48.28 62.07 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.09 1.314 . . . . 0.0 111.689 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -64.7 -50.01 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.484 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -69.92 -26.91 64.38 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -87.54 -49.41 7.2 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.39 -46.12 9.93 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.046 0.839 . . . . 0.0 112.027 -174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -105.44 36.27 2.57 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.275 1.43 . . . . 0.0 109.754 -171.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.12 159.6 9.37 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 127.815 2.446 . . . . 0.0 115.535 -168.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.98 146.49 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 127.776 2.43 . . . . 0.0 108.789 169.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.01 -33.81 28.58 Favored Glycine 0 N--CA 1.474 1.173 0 N-CA-C 115.727 1.051 . . . . 0.0 115.727 -169.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.2 p -84.67 -31.55 24.08 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 118.541 1.17 . . . . 0.0 113.494 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.1 mttm 62.57 9.53 3.52 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.815 2.046 . . . . 0.0 114.83 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.68 -25.02 67.76 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.454 1.101 . . . . 0.0 112.209 170.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -83.88 10.36 9.88 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.654 1.581 . . . . 0.0 113.591 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.17 -27.05 65.31 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.315 -1.49 . . . . 0.0 113.037 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.1 69.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.321 . . . . 0.0 112.82 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.33 -31.96 37.99 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.658 0.783 . . . . 0.0 111.495 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.1 mm -67.07 -42.06 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 120.086 1.312 . . . . 0.0 111.965 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.6 m -65.56 -30.57 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.395 0.998 . . . . 0.0 111.443 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -76.6 -36.62 57.39 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.728 -0.608 . . . . 0.0 112.159 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 tp -61.91 -42.13 98.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.158 0.89 . . . . 0.0 111.136 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -60.82 -37.76 83.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.137 0.975 . . . . 0.0 112.026 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.07 -31.22 67.58 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.103 0.961 . . . . 0.0 113.141 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -73.53 -32.65 64.33 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.951 1.3 . . . . 0.0 112.59 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD13 HD11 ' A' ' 34' ' ' LEU . 1.1 mt -67.53 -43.61 80.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.568 1.547 . . . . 0.0 111.735 169.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.87 -18.21 64.73 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.067 1.347 . . . . 0.0 113.463 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -54.17 -27.4 33.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.785 1.634 . . . . 0.0 113.742 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -61.32 -30.29 70.4 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.563 1.145 . . . . 0.0 113.438 175.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -143.34 -132.15 0.09 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 110.783 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -168.78 97.2 0.38 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.869 2.068 . . . . 0.0 110.438 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 112.03 -14.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 131.252 3.821 . . . . 0.0 113.091 170.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -159.3 153.44 23.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.462 1.105 . . . . 0.0 112.43 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.6 t -127.2 112.15 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.388 1.875 . . . . 0.0 108.057 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -79.19 160.26 27.02 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.305 0.642 . . . . 0.0 110.672 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -49.17 -46.12 44.98 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -174.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -64.74 -36.7 85.13 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.196 -0.94 . . . . 0.0 112.244 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -71.59 -34.83 70.22 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.979 0.912 . . . . 0.0 111.842 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -61.73 -46.48 89.48 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.67 1.188 . . . . 0.0 111.204 170.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.4 mt -67.32 -35.59 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 O-C-N 121.334 -0.854 . . . . 0.0 111.782 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.2 m -61.14 -42.64 98.92 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.524 1.13 . . . . 0.0 111.146 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.7 -39.87 91.69 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.104 0.865 . . . . 0.0 111.828 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.44 -22.94 67.11 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.048 0.84 . . . . 0.0 112.691 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.01 -36.47 60.77 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.267 0.937 . . . . 0.0 112.071 169.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.85 78.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 117.913 0.857 . . . . 0.0 111.062 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 tp -61.95 -39.52 92.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.687 1.195 . . . . 0.0 111.953 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.91 71.26 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.867 0.867 . . . . 0.0 112.436 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.8 ttm -74.31 -23.57 59.09 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -61.9 -29.37 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 CA-C-N 119.35 0.977 . . . . 0.0 111.236 170.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -75.16 57.41 0.85 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.2 1.0 . . . . 0.0 111.63 169.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -50.76 -27.99 8.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.353 1.861 . . . . 0.0 115.284 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -68.66 -45.55 71.44 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.378 0.99 . . . . 0.0 111.767 174.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.78 74.31 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.252 1.021 . . . . 0.0 111.835 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -5.42 35.12 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.752 2.021 . . . . 0.0 113.748 173.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -117.38 -43.89 2.8 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.637 1.575 . . . . 0.0 112.627 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.405 0 CA-C-O 118.071 -1.405 . . . . 0.0 113.864 -179.521 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 111.235 0.087 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.68 -40.05 66.58 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -52.53 -43.83 93.11 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -52.44 -39.89 72.82 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.109 3.206 . . . . 0.0 114.365 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 40.7 tp -74.35 -43.41 56.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.339 0.972 . . . . 0.0 111.247 174.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -60.2 -41.68 93.51 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 0.0 111.103 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.5 -23.86 60.1 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.95 -42.03 58.45 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.48 1.037 . . . . 0.0 111.662 173.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 pt -67.9 -26.77 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.25 -0.906 . . . . 0.0 111.245 169.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.37 -22.7 74.88 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.871 1.224 . . . . 0.0 113.621 169.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -48.3 56.31 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.156 1.478 . . . . 0.0 110.51 171.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 mt -56.88 -42.59 80.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.892 1.277 . . . . 0.0 112.098 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 56.4 mt -66.6 -47.25 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 118.303 0.502 . . . . 0.0 110.463 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.4 -32.86 85.61 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.32 0.962 . . . . 0.0 114.1 -174.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.83 -44.08 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.588 1.194 . . . . 0.0 111.497 171.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -69.39 -50.11 49.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.711 0.687 . . . . 0.0 112.479 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -72.91 -24.02 60.78 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -61.4 -39.65 91.5 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.603 -0.686 . . . . 0.0 110.993 168.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -81.84 -41.93 20.35 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 97.1 p -60.96 -18.61 58.1 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.02 -7.13 86.6 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-O 118.979 -0.901 . . . . 0.0 114.604 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.06 -33.93 33.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.202 1.501 . . . . 0.0 113.512 -175.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -158.89 -18.18 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.55 -171.99 31.17 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.113 1.34 . . . . 0.0 114.423 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.72 -162.94 1.0 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.056 1.342 . . . . 0.0 111.246 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -62.44 -23.25 66.77 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.754 -1.216 . . . . 0.0 114.21 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.97 19.36 1.12 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.481 1.513 . . . . 0.0 114.393 -172.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 78.7 p -127.34 158.09 38.17 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.949 1.3 . . . . 0.0 112.29 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -126.62 144.58 50.85 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.076 2.151 . . . . 0.0 108.96 169.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -77.1 158.88 30.21 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.597 1.09 . . . . 0.0 109.458 168.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -61.81 -30.52 70.88 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 119.674 -1.891 . . . . 0.0 112.826 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -42.89 60.55 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.525 -1.36 . . . . 0.0 112.171 173.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -62.6 -38.69 91.13 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.03 1.332 . . . . 0.0 111.265 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.402 ' C ' HD13 ' B' ' 34' ' ' LEU . 2.5 tm? -63.52 -42.1 98.47 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.165 1.386 . . . . 0.0 111.927 169.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -54.47 -43.86 72.07 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.938 1.245 . . . . 0.0 110.726 173.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.54 -40.61 93.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.665 0.786 . . . . 0.0 112.455 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.49 -48.02 78.04 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 118.329 -0.844 . . . . 0.0 111.063 170.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.8 -42.35 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.841 1.2 . . . . 0.0 111.193 177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -60.28 -34.2 73.41 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.111 1.323 . . . . 0.0 112.677 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -86.91 -24.81 24.7 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -84.95 -52.42 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.165 1.786 . . . . 0.0 111.417 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.5 mt -117.7 74.28 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.906 2.483 . . . . 0.0 107.791 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 54.4 m -70.43 95.1 1.02 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.617 1.167 . . . . 0.0 109.737 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.2 pt -59.96 144.13 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.264 1.825 . . . . 0.0 113.036 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.3 -12.01 82.02 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.233 0.921 . . . . 0.0 115.175 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 85.9 p -165.37 166.05 18.88 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.176 1.791 . . . . 0.0 111.324 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -68.93 -12.83 62.01 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.67 -22.79 66.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.568 1.147 . . . . 0.0 113.238 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -87.45 -5.92 58.63 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.841 1.256 . . . . 0.0 112.832 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.69 -39.82 74.5 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.384 -1.448 . . . . 0.0 112.498 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.01 70.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 112.679 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -80.73 -31.68 35.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.731 0.812 . . . . 0.0 111.613 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 17.0 mm -70.97 -39.94 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.999 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.0 m -66.32 -28.19 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.981 1.264 . . . . 0.0 111.836 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -70.35 -46.63 63.73 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.874 0.87 . . . . 0.0 111.445 169.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.98 -44.4 82.62 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.047 0.939 . . . . 0.0 111.486 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -62.13 -41.19 98.02 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.799 1.639 . . . . 0.0 112.678 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -73.68 -30.54 62.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.918 0.781 . . . . 0.0 112.807 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.5 -25.53 60.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.139 0.976 . . . . 0.0 112.568 170.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.62 -43.42 55.56 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.23 169.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.39 -9.91 57.61 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.44 1.496 . . . . 0.0 114.338 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -58.42 -20.51 45.22 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.279 1.032 . . . . 0.0 112.735 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -66.25 -18.1 65.15 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.782 1.633 . . . . 0.0 113.732 172.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -151.72 -122.12 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.715 2.006 . . . . 0.0 110.603 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -163.22 19.59 0.08 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.274 1.429 . . . . 0.0 114.81 -175.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -176.01 -24.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.655 1.582 . . . . 0.0 113.542 -170.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -155.76 151.72 27.63 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.849 1.26 . . . . 0.0 112.036 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 44.1 t -119.33 122.47 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.936 2.095 . . . . 0.0 108.823 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -89.68 153.17 20.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.106 0.962 . . . . 0.0 111.719 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -54.45 -42.91 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -169.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -64.42 -43.16 95.23 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.371 0.532 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.97 -34.25 73.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.699 1.2 . . . . 0.0 111.911 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -58.56 -39.93 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.497 0.719 . . . . 0.0 111.583 169.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.33 -36.85 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 121.194 -0.941 . . . . 0.0 112.349 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -59.71 -37.03 77.73 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 120.063 1.301 . . . . 0.0 111.332 171.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -68.55 -41.06 80.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.684 0.793 . . . . 0.0 112.194 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.38 -30.59 71.7 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.212 0.914 . . . . 0.0 112.235 171.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.5 -25.04 69.85 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-O 118.392 -1.227 . . . . 0.0 113.188 170.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.02 -50.36 9.78 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.337 1.568 . . . . 0.0 110.56 168.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 18.1 tp -51.36 -48.1 62.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.651 1.18 . . . . 0.0 111.505 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.53 61.19 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.495 1.118 . . . . 0.0 113.24 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 12.9 ttt -80.72 -42.39 21.99 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.753 1.221 . . . . 0.0 111.639 172.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.51 -24.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.053 1.741 . . . . 0.0 111.546 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -55.13 -29.12 57.05 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.178 0.991 . . . . 0.0 112.505 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.253 7.3 p30 51.43 -50.33 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.783 1 C-N-CA 133.031 4.532 . . . . 0.0 118.068 169.687 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.17 -28.82 67.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.499 1.12 . . . . 0.0 111.33 172.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.91 77.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.442 1.097 . . . . 0.0 113.014 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 47.6 mt -67.42 -49.17 64.93 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.592 0.633 . . . . 0.0 110.439 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -63.89 -40.44 96.52 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.737 0.815 . . . . 0.0 112.836 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 C-N-CA 126.552 2.025 . . . . 0.0 112.768 175.728 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -163.28 167.84 21.37 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.483 1.513 . . . . 0.0 111.46 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -146.67 131.98 4.23 Favored Glycine 0 N--CA 1.472 1.051 0 C-N-CA 125.082 1.325 . . . . 0.0 111.957 171.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.94 -29.97 68.75 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.637 1.175 . . . . 0.0 113.323 -175.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 74.1 mtm -53.76 -30.24 43.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.808 1.243 . . . . 0.0 112.556 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -68.13 -17.94 64.5 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.08 -42.9 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.319 1.448 . . . . 0.0 109.284 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.3 -35.83 80.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.161 1.384 . . . . 0.0 112.074 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -67.7 -23.32 65.27 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.212 -0.93 . . . . 0.0 112.997 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -69.53 -23.61 63.61 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.974 -1.079 . . . . 0.0 112.999 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.48 -26.24 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.383 1.073 . . . . 0.0 111.107 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -53.9 -37.38 63.71 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.282 -0.886 . . . . 0.0 112.212 169.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -85.27 -2.96 58.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.178 1.791 . . . . 0.0 113.905 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -103.61 -28.82 11.49 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.629 1.571 . . . . 0.0 111.873 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -65.26 157.97 46.31 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.165 1.364 . . . . 0.0 113.078 173.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -91.17 162.29 14.72 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.132 1.373 . . . . 0.0 112.936 -174.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.43 -14.95 32.37 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.217 1.407 . . . . 0.0 113.232 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -59.93 -27.36 66.71 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.587 1.155 . . . . 0.0 113.56 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 36.8 ttm -54.93 -53.71 52.15 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.914 0.886 . . . . 0.0 110.057 170.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -72.64 -24.48 61.06 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.522 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -36.32 83.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.435 1.471 . . . . 0.0 111.813 176.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 45.9 m -76.96 -44.89 29.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.228 . . . . 0.0 112.348 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 82.1 mt -66.2 -45.36 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.017 0.371 . . . . 0.0 111.477 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -59.97 -42.21 93.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.875 0.87 . . . . 0.0 112.999 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -58.68 -49.79 76.26 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.997 -1.064 . . . . 0.0 112.142 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.22 81.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.612 0.765 . . . . 0.0 112.529 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -71.05 -32.96 69.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.722 1.209 . . . . 0.0 112.74 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 42.2 t -75.48 -45.19 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.143 1.377 . . . . 0.0 112.228 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.69 -0.5 51.03 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.135 1.374 . . . . 0.0 114.456 -169.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 73.6 p -76.77 -11.31 59.82 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.232 1.413 . . . . 0.0 113.122 -169.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.499 0.19 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -73.99 164.12 27.03 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.293 1.437 . . . . 0.0 111.723 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 141.52 -33.55 1.97 Allowed Glycine 0 N--CA 1.473 1.108 0 C-N-CA 124.86 1.219 . . . . 0.0 114.254 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . 0.502 ' H ' HD23 ' D' ' 192' ' ' LEU . 1.9 pt? -55.2 -37.48 67.15 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.638 1.175 . . . . 0.0 112.221 175.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -55.65 -30.84 61.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.613 1.565 . . . . 0.0 113.133 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.01 -25.8 64.68 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.611 1.096 . . . . 0.0 112.913 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.23 -36.85 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.229 1.411 . . . . 0.0 109.781 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 58.0 mt -72.1 -24.55 61.51 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.934 1.693 . . . . 0.0 113.07 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.38 -29.43 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.13 -0.982 . . . . 0.0 112.319 169.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -64.82 -19.71 66.0 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.379 -0.826 . . . . 0.0 113.066 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 41.3 mm -90.75 -45.67 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.419 1.488 . . . . 0.0 110.756 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -51.54 -41.95 61.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.596 1.158 . . . . 0.0 113.293 174.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.58 -5.33 56.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.767 1.227 . . . . 0.0 113.927 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -110.96 -38.94 4.95 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.666 1.586 . . . . 0.0 114.266 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.79 139.7 20.26 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 115.699 1.039 . . . . 0.0 115.699 -169.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -153.97 44.16 0.57 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.126 2.17 . . . . 0.0 109.854 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.38 -168.56 1.74 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.594 1.958 . . . . 0.0 114.728 -169.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.66 -24.56 57.3 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -61.62 -37.67 84.81 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.361 0.982 . . . . 0.0 111.119 173.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -65.42 -25.53 67.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.639 -1.288 . . . . 0.0 111.564 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -78.5 -42.6 29.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.531 1.133 . . . . 0.0 111.895 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 70.5 p -69.87 -38.38 76.39 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 119.682 1.128 . . . . 0.0 111.895 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 25.4 mm -61.79 -42.45 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.562 1.145 . . . . 0.0 111.86 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -58.45 -47.42 84.05 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.079 0.854 . . . . 0.0 111.247 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.87 -48.2 82.22 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.252 -0.905 . . . . 0.0 112.348 176.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.31 74.05 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -73.45 -39.98 64.55 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.921 0.888 . . . . 0.0 111.602 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.52 -42.57 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.225 1.01 . . . . 0.0 110.863 174.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -68.61 -10.39 55.69 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.475 1.91 . . . . 0.0 113.719 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 23.9 m -89.08 -9.22 51.93 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.257 1.023 . . . . 0.0 113.581 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 34.5 mtp-105 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.323 1.449 . . . . 0.0 113.331 -174.824 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 117.331 -1.319 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.15 -15.94 0.38 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 128.034 2.534 . . . . 0.0 115.313 172.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -40.9 -51.39 7.25 Favored Pre-proline 0 CA--C 1.547 0.837 0 N-CA-C 117.306 2.335 . . . . 0.0 117.306 -169.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -69.51 -34.65 14.94 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.707 1.605 . . . . 0.0 112.49 -176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.4 tp -75.86 -39.48 56.47 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.107 0.867 . . . . 0.0 111.46 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.6 -38.77 90.42 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.06 0.544 . . . . 0.0 110.874 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -69.61 -31.02 68.9 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.494 -0.754 . . . . 0.0 112.725 172.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.86 69.47 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.875 1.216 . . . . 0.0 112.545 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 pt -63.22 -30.43 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 118.931 0.787 . . . . 0.0 111.001 170.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.01 -33.71 87.98 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.88 1.229 . . . . 0.0 113.255 172.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.99 62.69 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.225 1.012 . . . . 0.0 110.105 173.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.07 -39.56 78.83 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.488 1.115 . . . . 0.0 112.369 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.68 -52.14 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 119.549 1.068 . . . . 0.0 110.43 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.55 -31.93 71.08 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.471 -0.627 . . . . 0.0 113.389 -175.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -68.23 -37.49 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.309 1.054 . . . . 0.0 112.473 172.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -80.12 -50.82 9.78 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.777 0.717 . . . . 0.0 112.019 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -68.39 -26.74 65.71 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -62.83 -33.11 74.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.33 -0.856 . . . . 0.0 112.813 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -80.44 -37.54 31.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.187 0.995 . . . . 0.0 111.997 172.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.8 m -56.43 -43.16 79.14 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.254 0.934 . . . . 0.0 113.453 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.94 -5.99 54.59 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 119.06 -0.856 . . . . 0.0 115.072 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -78.49 -44.76 23.69 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.099 1.45 . . . . 0.0 113.043 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -152.3 -3.6 0.25 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.41 -171.57 48.15 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 119.908 1.231 . . . . 0.0 113.71 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.36 -142.79 0.06 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.964 1.305 . . . . 0.0 110.837 174.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -57.09 -52.61 64.6 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.377 -1.452 . . . . 0.0 112.049 172.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.03 49.24 0.64 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.112 1.765 . . . . 0.0 112.417 -169.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -123.42 162.58 22.53 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.555 1.542 . . . . 0.0 111.096 174.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.4 mt -128.61 137.52 51.73 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.239 1.416 . . . . 0.0 109.639 169.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.9 p -77.73 164.53 25.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.74 -1.225 . . . . 0.0 109.246 169.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -56.86 -35.08 68.46 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.481 -1.387 . . . . 0.0 112.643 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.64 -43.6 72.31 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.942 -1.099 . . . . 0.0 112.836 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.92 -35.42 78.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.402 -0.811 . . . . 0.0 112.175 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.05 -40.23 78.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.027 1.731 . . . . 0.0 110.755 172.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -57.27 -46.53 82.99 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.613 -1.305 . . . . 0.0 111.31 169.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -60.12 -36.59 77.81 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.18 0.992 . . . . 0.0 112.217 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.51 -52.73 56.32 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.36 0.982 . . . . 0.0 110.705 169.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.3 mt -57.3 -46.95 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.789 1.177 . . . . 0.0 112.064 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.02 -34.35 76.04 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.424 0.557 . . . . 0.0 112.416 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.38 7.2 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 176.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.92 -14.27 42.35 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.117 1.367 . . . . 0.0 114.119 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -120.13 43.78 2.6 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 167.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.0 m -16.71 103.39 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.872 1 C-N-CA 131.911 4.084 . . . . 0.0 114.707 -169.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mt -95.92 -41.55 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.284 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.69 8.1 84.01 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.755 1.169 . . . . 0.0 114.573 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.6 t -167.81 160.21 12.28 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.589 1.955 . . . . 0.0 110.829 -173.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.25 6.15 49.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.354 1.062 . . . . 0.0 113.076 170.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.17 -39.65 60.35 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.009 1.323 . . . . 0.0 113.168 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -92.92 2.16 56.93 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.475 1.11 . . . . 0.0 113.694 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.5 -26.31 68.47 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.165 -1.584 . . . . 0.0 114.139 -169.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.2 -25.9 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.466 1.106 . . . . 0.0 113.557 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -80.78 -38.11 29.08 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.388 1.075 . . . . 0.0 109.516 169.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.7 mm -61.64 -42.4 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.018 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.8 m -64.32 -28.13 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.56 1.527 . . . . 0.0 112.867 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -74.6 -31.86 62.17 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.312 0.96 . . . . 0.0 113.084 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.95 -36.18 72.47 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.028 -1.045 . . . . 0.0 111.838 171.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 mtp -62.19 -39.38 92.52 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.929 1.292 . . . . 0.0 112.163 171.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.99 -32.98 73.5 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.837 0.855 . . . . 0.0 112.386 173.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -77.77 -33.64 52.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.075 0.852 . . . . 0.0 112.784 175.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.56 -48.11 65.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.123 1.369 . . . . 0.0 112.28 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -77.96 -7.16 56.44 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.906 0.882 . . . . 0.0 112.525 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -55.21 -28.83 55.86 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.622 1.101 . . . . 0.0 112.713 177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -82.98 -2.96 56.58 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.919 1.451 . . . . 0.0 114.919 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -143.81 -29.25 0.51 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 62.73 19.27 11.29 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.944 2.498 . . . . 0.0 113.546 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -148.62 -82.75 0.11 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.865 1.666 . . . . 0.0 109.528 -169.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -128.79 141.64 51.24 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.289 2.235 . . . . 0.0 108.42 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.4 t -79.88 106.79 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.91 1.284 . . . . 0.0 108.677 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -80.33 157.94 26.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.546 1.138 . . . . 0.0 111.652 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.43 -42.61 87.66 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -169.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.19 -40.93 90.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.559 1.072 . . . . 0.0 110.668 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -66.77 -36.32 82.15 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.235 1.414 . . . . 0.0 112.097 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -58.53 -42.16 87.14 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.81 0.844 . . . . 0.0 111.331 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -72.32 -40.55 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.237 -0.914 . . . . 0.0 111.686 177.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -54.49 -41.17 69.26 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.633 1.106 . . . . 0.0 111.536 170.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -69.8 -39.33 76.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.2 mt -60.31 -28.96 68.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.535 1.061 . . . . 0.0 111.696 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.8 -34.57 90.25 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.063 0.839 . . . . 0.0 113.42 169.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.57 -44.37 57.51 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.777 1.289 . . . . 0.0 111.834 170.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.15 -45.32 79.68 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.247 1.019 . . . . 0.0 110.903 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.87 69.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.053 1.341 . . . . 0.0 113.821 174.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.5 ttt -79.12 -34.26 43.54 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 112.661 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -67.08 -33.62 64.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.764 0.826 . . . . 0.0 110.679 171.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -70.91 43.92 0.08 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.352 1.461 . . . . 0.0 111.798 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -52.44 -22.29 4.58 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.016 2.526 . . . . 0.0 117.466 -168.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.73 -22.06 66.9 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 120.775 1.625 . . . . 0.0 112.825 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.57 -53.21 9.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.935 1.694 . . . . 0.0 111.774 172.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.2 tp -78.68 46.29 0.65 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.771 2.028 . . . . 0.0 111.911 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -153.58 -27.07 0.14 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.331 1.452 . . . . 0.0 113.208 -169.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.228 0 CA-C-O 117.638 -1.645 . . . . 0.0 113.215 177.225 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.32 -46.19 77.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 p -63.05 -37.52 33.48 Favored Pre-proline 0 CA--C 1.548 0.901 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -171.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -59.25 -39.17 80.71 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.046 2.498 . . . . 0.0 113.896 169.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 24.5 tp -76.32 -40.91 50.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.952 0.796 . . . . 0.0 111.711 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.87 -37.42 84.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.12 1.368 . . . . 0.0 112.271 -177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -76.32 -20.86 56.86 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 173.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.83 -48.12 12.87 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.474 1.034 . . . . 0.0 112.045 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 pt -63.36 -32.33 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.088 -1.008 . . . . 0.0 110.65 170.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.31 -23.84 70.28 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.789 1.185 . . . . 0.0 113.914 170.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -50.52 34.24 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.791 1.295 . . . . 0.0 110.015 171.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.31 -42.39 81.71 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.809 0.843 . . . . 0.0 111.251 175.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.28 -45.66 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 CA-C-N 118.816 0.734 . . . . 0.0 111.08 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.73 -33.5 86.15 Favored Glycine 0 N--CA 1.47 0.935 0 C-N-CA 124.523 1.059 . . . . 0.0 112.877 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mt -72.15 -57.39 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 117.893 0.847 . . . . 0.0 109.879 169.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -55.48 -51.11 68.05 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.467 0.707 . . . . 0.0 112.841 -173.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -70.81 -25.6 62.93 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -172.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.52 -41.77 99.06 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.442 -0.786 . . . . 0.0 111.363 169.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -81.33 -43.85 18.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.3 p -65.63 -26.14 67.69 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.098 1.772 . . . . 0.0 112.851 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.99 -2.54 58.25 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.828 1.204 . . . . 0.0 115.231 174.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -68.32 -40.17 81.76 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.936 1.368 . . . . 0.0 113.011 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -82.71 -22.48 34.48 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.87 -166.5 31.94 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.895 1.236 . . . . 0.0 113.224 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 103.28 1.25 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.313 1.045 . . . . 0.0 111.054 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -146.44 170.46 16.8 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.66 1.584 . . . . 0.0 113.292 -169.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -139.12 21.37 2.61 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.57 1.948 . . . . 0.0 112.977 172.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -143.31 141.05 30.85 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.268 2.227 . . . . 0.0 109.655 -173.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.3 131.58 39.78 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.668 1.187 . . . . 0.0 111.079 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.5 t -78.78 150.99 32.24 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.555 -0.715 . . . . 0.0 109.981 169.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -57.84 -34.66 69.94 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.22 -1.55 . . . . 0.0 114.136 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -74.62 -30.77 61.78 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.57 1.548 . . . . 0.0 113.496 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.33 -38.01 63.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.847 2.059 . . . . 0.0 109.852 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.23 -43.63 98.39 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.537 1.535 . . . . 0.0 109.719 168.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -62.38 -29.26 70.35 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.675 -1.266 . . . . 0.0 112.497 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -50.04 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.147 1.379 . . . . 0.0 110.916 169.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.17 -50.97 57.96 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.903 1.281 . . . . 0.0 111.049 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.4 -53.82 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.327 0.512 . . . . 0.0 111.349 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -65.86 -23.8 66.74 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -86.7 -51.35 6.17 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -86.69 -41.05 14.5 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.611 0.764 . . . . 0.0 112.847 -172.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.61 -41.22 10.33 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.575 0.75 . . . . 0.0 110.313 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.3 p 78.05 154.33 0.15 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 130.53 3.532 . . . . 0.0 112.276 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.8 tp -77.28 134.26 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 C-N-CA 123.946 0.898 . . . . 0.0 111.911 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.1 -32.47 35.58 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 123.793 0.711 . . . . 0.0 113.67 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.1 p -176.51 161.2 2.14 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.457 2.303 . . . . 0.0 109.883 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -60.4 -36.65 78.62 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.442 -1.411 . . . . 0.0 113.42 -171.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.59 HD13 ' H ' ' B' ' 48' ' ' LEU . 0.0 OUTLIER -76.41 -11.31 59.87 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 175.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -75.54 -19.31 59.41 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.727 0.811 . . . . 0.0 111.954 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.76 -27.11 69.06 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.294 -0.879 . . . . 0.0 112.631 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.62 69.42 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.704 1.202 . . . . 0.0 112.751 170.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -81.54 -37.19 28.18 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.836 0.854 . . . . 0.0 111.361 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.3 mm -61.35 -43.65 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.846 0.748 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.85 -26.93 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 118.945 0.793 . . . . 0.0 112.097 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -79.04 -34.68 43.6 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.134 0.879 . . . . 0.0 112.091 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -43.34 87.88 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.993 -1.067 . . . . 0.0 110.373 170.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -58.26 -40.95 83.17 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.362 1.065 . . . . 0.0 111.476 171.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.39 -34.66 78.46 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.703 1.201 . . . . 0.0 113.262 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.76 -18.36 59.57 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 172.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -81.44 -47.56 13.04 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.466 1.106 . . . . 0.0 110.025 168.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.36 -12.36 20.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.175 2.19 . . . . 0.0 113.431 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.03 -25.08 65.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.575 1.95 . . . . 0.0 112.837 169.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -69.98 -40.08 75.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.872 0.869 . . . . 0.0 112.64 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.51 131.4 2.62 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.784 2.034 . . . . 0.0 109.57 172.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -68.97 29.27 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 -168.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -156.27 -51.93 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.008 -1.058 . . . . 0.0 110.978 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -138.97 135.91 34.84 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 110.334 -174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.4 t -110.15 119.08 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 127.303 2.241 . . . . 0.0 108.557 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -77.85 160.44 28.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.177 0.591 . . . . 0.0 111.659 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.87 -47.07 68.12 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.716 1.206 . . . . 0.0 114.224 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -67.34 -30.95 70.91 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.512 -0.743 . . . . 0.0 112.373 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -74.32 -38.73 63.22 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.365 1.066 . . . . 0.0 110.859 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -59.98 -44.72 94.31 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.249 1.02 . . . . 0.0 111.406 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 mt -68.67 -34.04 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.266 -0.896 . . . . 0.0 112.289 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 62.7 m -62.24 -40.36 95.92 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.671 1.123 . . . . 0.0 111.089 173.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -67.29 -38.93 85.82 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.245 0.618 . . . . 0.0 112.156 172.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.59 -22.09 66.71 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.344 -0.847 . . . . 0.0 112.606 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.79 -38.23 92.89 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 119.871 1.214 . . . . 0.0 112.158 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.54 -40.63 73.29 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 117.94 0.87 . . . . 0.0 111.677 169.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 tp -69.54 -15.55 63.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.793 0.837 . . . . 0.0 113.105 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.62 -45.2 16.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.503 1.121 . . . . 0.0 109.379 168.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 51.9 ttm -67.34 -25.86 66.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.948 1.299 . . . . 0.0 113.892 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 7.0 tp -57.97 -29.61 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.114 0.87 . . . . 0.0 112.385 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -76.34 53.06 0.81 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.72 1.608 . . . . 0.0 111.584 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -42.48 -36.75 1.41 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.9 2.88 . . . . 0.0 115.881 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.86 -27.33 62.8 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 119.249 0.932 . . . . 0.0 113.22 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.87 -20.79 65.17 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.979 -1.076 . . . . 0.0 112.12 169.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.32 16.28 18.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.627 1.971 . . . . 0.0 112.111 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -116.53 -43.61 2.91 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 168.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.232 0 C-N-CA 125.511 1.529 . . . . 0.0 113.815 -179.617 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 51.78 -165.39 0.06 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.973 2.509 . . . . 0.0 115.107 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.42 -12.16 84.11 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.71 1.148 . . . . 0.0 114.482 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.13 -68.05 0.22 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.157 1.383 . . . . 0.0 111.038 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 26.2 mmt -59.47 -27.95 66.57 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.364 -0.835 . . . . 0.0 112.584 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -66.67 -18.91 65.62 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 55.1 t -96.65 -32.97 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 124.65 1.18 . . . . 0.0 109.923 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.71 -30.82 70.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.295 1.438 . . . . 0.0 111.894 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.63 -30.16 60.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.391 1.076 . . . . 0.0 112.862 172.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -65.28 -22.8 66.89 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.187 -0.946 . . . . 0.0 113.084 176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 54.5 mt -87.9 -43.52 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.008 1.323 . . . . 0.0 110.522 169.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -50.73 -42.24 57.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.262 1.025 . . . . 0.0 113.561 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.68 -10.06 59.35 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -110.45 14.02 22.64 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.181 2.192 . . . . 0.0 112.054 172.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -60.97 151.06 42.36 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 125.363 1.459 . . . . 0.0 116.513 -169.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.83 161.36 21.19 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.699 2.399 . . . . 0.0 115.401 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -112.89 -2.23 14.38 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.891 2.077 . . . . 0.0 113.756 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -91.39 -28.44 17.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.878 1.217 . . . . 0.0 113.294 170.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 39.1 ttm -50.23 -48.58 54.46 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.298 1.439 . . . . 0.0 111.386 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -56.38 -37.16 69.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.709 0.804 . . . . 0.0 112.936 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -74.1 -37.83 64.04 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.774 0.83 . . . . 0.0 111.096 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 92.9 m -73.73 -37.27 65.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.884 1.273 . . . . 0.0 111.877 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 62.3 mt -61.03 -47.53 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.894 0.878 . . . . 0.0 110.429 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.16 -37.8 84.18 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 122.001 -0.437 . . . . 0.0 112.012 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -63.96 -57.18 10.51 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.685 0.794 . . . . 0.0 111.966 170.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -51.31 -25.66 6.25 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.488 1.915 . . . . 0.0 114.255 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -67.19 -27.66 67.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.413 1.485 . . . . 0.0 112.931 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 59.4 t -90.3 -26.76 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.71 2.004 . . . . 0.0 112.833 -174.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -66.61 -0.04 2.6 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 -169.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 8.7 m -72.02 -16.3 62.05 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 120.487 -1.383 . . . . 0.0 112.519 170.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.917 2.087 . . . . 0.0 112.95 -174.213 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -117.23 142.34 47.17 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.841 1.257 . . . . 0.0 110.839 -170.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -90.32 19.51 42.99 Favored Glycine 0 N--CA 1.474 1.223 0 C-N-CA 125.135 1.35 . . . . 0.0 115.074 -175.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 pp -52.72 -40.5 63.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.378 1.471 . . . . 0.0 113.977 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -26.42 49.47 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.928 1.291 . . . . 0.0 113.598 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -71.37 -17.29 62.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.101 0.96 . . . . 0.0 113.51 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 52.3 t -97.3 -38.54 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.121 1.368 . . . . 0.0 109.528 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.52 -35.28 79.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.053 1.341 . . . . 0.0 111.769 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -55.78 -34.3 65.14 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.345 1.058 . . . . 0.0 112.496 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.43 -15.2 63.54 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 21.7 mm -90.86 -46.85 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 125.277 1.431 . . . . 0.0 110.244 169.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -54.81 -38.44 67.34 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.75 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.03 -1.17 9.06 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -174.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.56 -22.58 63.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.499 1.12 . . . . 0.0 113.07 170.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 127.83 159.74 10.18 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.956 1.741 . . . . 0.0 113.23 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -154.66 27.48 0.44 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.079 1.352 . . . . 0.0 113.619 -170.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.9 -50.71 65.45 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.063 -1.023 . . . . 0.0 112.014 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.6 -26.29 68.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.379 1.071 . . . . 0.0 113.407 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 46.9 tpp -58.46 -46.8 85.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.449 1.1 . . . . 0.0 110.586 172.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.7 -29.6 65.94 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.426 -0.796 . . . . 0.0 112.605 174.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.37 -30.52 68.53 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.239 1.382 . . . . 0.0 112.506 172.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 87.4 m -73.11 -49.91 25.76 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.497 1.519 . . . . 0.0 110.863 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 68.8 mt -75.64 -41.83 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.23 -172.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -53.05 -44.44 67.44 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.166 1.348 . . . . 0.0 112.558 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -69.59 -11.8 61.13 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.67 10.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.25 1.02 . . . . 0.0 110.612 168.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -68.48 -37.63 80.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.349 1.46 . . . . 0.0 112.273 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.28 -34.62 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.908 1.683 . . . . 0.0 113.952 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -63.96 -23.8 67.48 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.592 1.557 . . . . 0.0 112.872 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 18.3 t -91.81 111.39 22.9 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.045 -1.034 . . . . 0.0 110.566 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.76 2.024 . . . . 0.0 112.647 -175.092 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.23 -44.45 12.88 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -171.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -58.03 -31.42 10.07 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 -175.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.61 -43.21 28.09 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.574 2.183 . . . . 0.0 113.021 172.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.75 -45.14 53.77 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 118.797 0.726 . . . . 0.0 111.385 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -63.3 -33.37 75.37 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.604 0.761 . . . . 0.0 112.386 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.55 -34.89 60.76 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.562 -0.711 . . . . 0.0 112.351 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.82 78.69 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.375 0.989 . . . . 0.0 112.108 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 pt -66.51 -25.92 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.319 -0.863 . . . . 0.0 111.817 172.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.93 -34.43 82.11 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.753 1.168 . . . . 0.0 113.4 171.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -50.74 71.89 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.143 1.377 . . . . 0.0 109.841 175.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.02 -39.56 86.27 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.393 1.077 . . . . 0.0 112.233 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.0 mt -64.82 -44.13 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.216 1.371 . . . . 0.0 110.862 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.53 -26.38 71.88 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-O 119.566 -0.574 . . . . 0.0 113.478 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.9 mt -73.24 -47.58 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 118.528 1.164 . . . . 0.0 110.831 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -59.01 3.1 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.295 1.038 . . . . 0.0 112.574 -174.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -68.2 -20.66 64.87 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -54.8 -45.41 74.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.776 1.23 . . . . 0.0 111.483 169.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -83.07 -40.26 20.11 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 m -67.7 -53.08 30.49 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.036 0.834 . . . . 0.0 111.802 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.05 46.64 2.67 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 125.922 1.725 . . . . 0.0 111.369 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -56.62 -33.81 66.63 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.09 0.945 . . . . 0.0 113.002 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -104.35 14.87 29.4 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.921 1.288 . . . . 0.0 112.022 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.88 12.3 68.85 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.34 1.448 . . . . 0.0 113.675 -172.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -93.3 -163.75 1.09 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 127.153 2.181 . . . . 0.0 115.321 -169.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -58.48 149.91 23.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.234 2.214 . . . . 0.0 115.619 -169.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -74.29 51.69 0.44 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.395 2.278 . . . . 0.0 114.705 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.1 t -142.77 150.95 40.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.113 1.365 . . . . 0.0 111.51 174.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.1 mt -114.19 132.73 56.0 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.111 1.764 . . . . 0.0 110.045 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -77.88 163.3 26.16 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 168.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -54.86 -28.65 51.61 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.485 -1.384 . . . . 0.0 114.2 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -80.87 -42.45 21.49 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 170.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.41 -34.68 77.23 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.294 1.406 . . . . 0.0 111.333 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.33 -48.62 80.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.121 1.768 . . . . 0.0 110.954 170.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -61.5 -35.82 78.75 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.974 -1.079 . . . . 0.0 112.714 172.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -63.1 -40.21 96.99 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.716 1.144 . . . . 0.0 111.463 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.1 -53.84 53.72 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.668 0.667 . . . . 0.0 110.52 170.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.4 mt -58.15 -42.4 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 118.519 0.6 . . . . 0.0 111.897 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -63.74 -33.7 76.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -86.4 -33.72 20.39 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.68 1.127 . . . . 0.0 113.594 175.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -83.91 -49.24 9.19 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.172 0.589 . . . . 0.0 112.109 -175.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.4 mt -113.39 38.82 2.77 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.244 1.818 . . . . 0.0 110.461 -173.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.1 m -45.88 116.08 1.13 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.693 2.397 . . . . 0.0 113.995 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.431 ' H ' HD13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -91.63 -14.44 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 125.278 1.431 . . . . 0.0 113.096 169.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.03 177.65 46.21 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.386 1.47 . . . . 0.0 113.284 -175.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -79.87 85.68 5.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.172 0.989 . . . . 0.0 111.234 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -158.55 176.83 11.92 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.018 1.327 . . . . 0.0 113.32 -174.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.63 -8.3 13.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -66.97 -8.93 33.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.922 0.889 . . . . 0.0 112.965 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.05 -25.99 59.59 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.685 -1.26 . . . . 0.0 112.066 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.07 68.37 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.024 1.33 . . . . 0.0 113.118 170.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -80.49 -35.41 34.77 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.967 0.907 . . . . 0.0 111.15 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -67.72 -39.04 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.966 0.803 . . . . 0.0 111.573 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 m -65.9 -29.97 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.575 1.08 . . . . 0.0 111.72 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.23 -37.31 61.14 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.274 -0.891 . . . . 0.0 111.946 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 tp -63.76 -41.29 98.02 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.662 0.664 . . . . 0.0 111.069 173.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.31 -38.28 79.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.137 0.975 . . . . 0.0 112.042 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.32 -38.0 89.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.657 1.117 . . . . 0.0 112.761 172.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -72.9 -24.65 60.86 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.233 0.924 . . . . 0.0 113.185 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.51 -47.45 22.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.964 1.706 . . . . 0.0 111.943 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -21.89 63.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.811 2.045 . . . . 0.0 112.956 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -52.11 -34.95 46.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.6 1.56 . . . . 0.0 112.712 170.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.64 -35.84 65.34 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.874 0.869 . . . . 0.0 112.163 -176.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -166.41 129.57 1.97 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.561 1.944 . . . . 0.0 110.436 171.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.86 137.74 43.94 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.246 1.019 . . . . 0.0 113.105 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 76.88 -43.36 0.44 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 129.362 3.065 . . . . 0.0 112.837 172.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -133.58 117.15 16.74 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.985 1.714 . . . . 0.0 110.079 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.2 t -101.33 104.62 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.332 1.853 . . . . 0.0 108.688 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -78.79 164.87 24.17 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.853 0.835 . . . . 0.0 110.616 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -58.57 -32.44 68.94 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -170.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -61.2 -49.52 76.84 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 119.015 -0.516 . . . . 0.0 111.111 174.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 57.1 mp0 -69.32 -34.34 74.51 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.217 1.007 . . . . 0.0 112.161 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -60.23 -46.42 89.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 122.982 0.513 . . . . 0.0 111.592 173.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mt -74.03 -31.05 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 121.222 -0.924 . . . . 0.0 111.565 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -58.37 -44.74 89.0 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.023 0.829 . . . . 0.0 110.732 171.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -65.11 -37.9 88.94 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.888 -0.577 . . . . 0.0 112.472 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.07 -29.01 69.86 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.344 0.975 . . . . 0.0 112.451 174.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.91 84.4 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 118.633 0.651 . . . . 0.0 112.298 170.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.22 88.9 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 117.831 0.815 . . . . 0.0 112.712 173.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.02 -43.89 97.49 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.77 1.628 . . . . 0.0 111.138 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -37.58 75.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.693 0.797 . . . . 0.0 112.084 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 92.1 mtp -68.1 -18.5 64.67 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 173.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.3 mm -66.84 -37.39 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 120.222 1.374 . . . . 0.0 110.138 169.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -78.97 51.66 1.16 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.652 1.581 . . . . 0.0 113.007 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -43.91 -38.58 3.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.08 2.152 . . . . 0.0 115.644 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.93 -29.82 70.77 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.26 0.937 . . . . 0.0 113.262 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.39 -35.92 78.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.377 1.471 . . . . 0.0 112.397 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 24.0 mt -67.22 -50.07 62.16 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.607 1.163 . . . . 0.0 111.111 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -84.5 -25.05 29.11 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.377 0 C-N-CA 126.056 1.789 . . . . 0.0 114.511 175.836 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.516 0.198 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.18 55.13 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.79 1.636 . . . . 0.0 114.52 -173.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.53 -47.27 88.92 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-O 117.697 -1.144 . . . . 0.0 113.316 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -53.02 -38.95 80.79 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.932 3.088 . . . . 0.0 114.632 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -73.63 -42.76 61.01 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.455 1.025 . . . . 0.0 111.842 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -59.84 -40.16 87.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.354 1.462 . . . . 0.0 112.433 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -73.74 -18.8 60.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 173.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.14 -50.05 10.85 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.633 1.106 . . . . 0.0 111.62 172.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 37.2 pt -65.59 -29.24 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 O-C-N 121.019 -1.051 . . . . 0.0 111.738 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.14 -21.66 77.13 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.754 1.169 . . . . 0.0 113.32 171.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -47.87 66.93 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.797 1.298 . . . . 0.0 109.744 173.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -40.26 84.63 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.419 1.088 . . . . 0.0 111.279 176.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.34 -49.22 84.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.692 0.797 . . . . 0.0 111.433 171.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.05 -26.3 73.31 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.208 0.909 . . . . 0.0 113.635 -177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.11 -50.27 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.67 1.188 . . . . 0.0 111.448 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -70.17 -55.9 8.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.844 1.202 . . . . 0.0 113.201 -171.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -68.37 -22.25 64.66 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.25 -41.87 76.46 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.709 1.603 . . . . 0.0 112.418 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -80.97 -31.18 34.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.412 1.085 . . . . 0.0 112.652 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.8 m -58.91 -45.85 89.3 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 120.901 -1.125 . . . . 0.0 112.319 173.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.3 -13.06 61.93 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.092 0.854 . . . . 0.0 114.197 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -72.58 -32.52 66.07 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.65 1.225 . . . . 0.0 112.595 176.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -104.28 -8.31 19.39 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.684 1.194 . . . . 0.0 113.13 171.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.59 17.24 34.08 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.975 1.274 . . . . 0.0 114.25 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -79.97 146.32 32.12 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.611 1.164 . . . . 0.0 112.177 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -75.87 -39.61 56.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.157 0.983 . . . . 0.0 112.907 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -167.79 39.07 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.507 1.923 . . . . 0.0 112.979 -175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 67.0 m -140.73 154.84 46.49 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.541 1.936 . . . . 0.0 109.75 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.4 143.05 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.338 1.455 . . . . 0.0 110.053 169.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 99.9 p -77.02 159.85 29.58 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.385 -0.822 . . . . 0.0 109.928 169.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -55.49 -31.5 62.07 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.548 -1.345 . . . . 0.0 113.266 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 tmpt? -76.64 -42.73 40.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.511 1.124 . . . . 0.0 112.472 173.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -70.48 -31.91 69.23 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.911 -1.118 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.403 HD11 HD13 ' B' ' 60' ' ' LEU . 2.5 tm? -61.35 -51.77 67.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.612 1.565 . . . . 0.0 111.088 169.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -64.32 -29.73 70.8 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.081 -1.012 . . . . 0.0 112.058 176.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.1 -44.55 95.38 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.995 0.816 . . . . 0.0 112.029 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -56.81 -49.03 76.59 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.011 0.823 . . . . 0.0 110.69 172.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -60.07 -50.28 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.07 0.85 . . . . 0.0 111.409 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -59.42 -39.72 84.41 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.243 0.617 . . . . 0.0 112.344 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -85.86 -38.42 18.11 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -84.88 -47.82 9.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 119.328 0.967 . . . . 0.0 112.5 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.5 mt -87.38 55.9 3.72 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -26.36 101.13 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 130.584 3.554 . . . . 0.0 113.298 -169.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 tt -76.87 150.75 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.865 1.266 . . . . 0.0 113.04 -169.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.76 157.94 38.38 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.076 0.846 . . . . 0.0 112.619 172.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 41.8 m -78.9 63.46 3.61 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.901 1.28 . . . . 0.0 111.719 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -157.51 -172.69 4.07 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.554 1.542 . . . . 0.0 113.291 -169.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.1 -6.18 16.42 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.779 2.032 . . . . 0.0 114.716 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -47.49 -34.26 7.22 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.059 1.744 . . . . 0.0 113.738 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.37 -25.22 67.8 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.41 68.42 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.559 0.744 . . . . 0.0 112.336 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -80.73 -37.22 30.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.618 0.767 . . . . 0.0 110.664 170.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 29.2 mm -65.43 -38.99 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-O 117.825 -1.083 . . . . 0.0 112.025 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -66.55 -28.51 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 120.416 1.462 . . . . 0.0 112.413 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -74.45 -33.97 63.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.316 0.962 . . . . 0.0 112.478 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.78 -37.3 76.31 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.032 -1.043 . . . . 0.0 111.903 171.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -61.44 -40.48 94.62 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.367 1.067 . . . . 0.0 111.577 169.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.46 -34.13 77.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.5 1.12 . . . . 0.0 112.587 172.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.83 -17.96 52.01 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.149 -0.969 . . . . 0.0 113.395 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.403 HD13 HD11 ' B' ' 34' ' ' LEU . 3.0 mt -80.65 -42.69 21.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.091 1.356 . . . . 0.0 110.209 169.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -60.49 -30.09 69.49 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.186 1.794 . . . . 0.0 112.533 169.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.01 -29.78 70.51 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.799 1.24 . . . . 0.0 111.81 171.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -81.49 -28.17 34.2 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.71 123.16 3.64 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.452 1.501 . . . . 0.0 112.636 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.79 132.93 49.09 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.396 1.478 . . . . 0.0 114.276 -171.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 76.77 -37.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 129.563 3.145 . . . . 0.0 113.548 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -153.85 128.72 9.49 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.873 1.669 . . . . 0.0 109.994 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.33 118.14 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.085 1.754 . . . . 0.0 109.368 -170.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -79.35 151.66 30.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.849 1.26 . . . . 0.0 110.855 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -51.32 -39.98 58.09 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -62.02 -43.95 97.76 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 111.548 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -72.97 -29.53 63.14 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.765 1.226 . . . . 0.0 111.58 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -64.78 -46.14 83.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.987 0.915 . . . . 0.0 110.824 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.2 mt -67.39 -35.61 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 O-C-N 121.203 -0.935 . . . . 0.0 111.912 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 87.8 m -58.94 -45.53 90.22 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.571 1.149 . . . . 0.0 110.409 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -64.02 -42.14 97.23 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.264 0.626 . . . . 0.0 112.26 174.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.12 -26.23 68.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.378 0.99 . . . . 0.0 112.453 173.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.81 -43.16 94.49 Favored Glycine 0 N--CA 1.468 0.827 0 C-N-CA 124.324 0.964 . . . . 0.0 112.316 170.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.2 95.1 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 117.943 0.872 . . . . 0.0 112.021 170.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.4 -44.65 92.78 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.214 1.006 . . . . 0.0 111.697 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.2 96.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.185 0.994 . . . . 0.0 111.754 175.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 41.2 ttp -66.74 -31.7 72.52 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 175.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.16 -21.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.873 0.869 . . . . 0.0 112.446 171.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -75.87 43.63 0.28 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 119.259 0.936 . . . . 0.0 112.602 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -44.94 -26.81 0.46 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.933 2.493 . . . . 0.0 116.503 -173.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.99 -32.7 68.14 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 121.428 1.922 . . . . 0.0 112.896 173.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.3 -16.94 62.48 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.302 1.441 . . . . 0.0 113.607 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 73.0 mt -101.57 -10.86 19.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 127.156 2.182 . . . . 0.0 112.648 176.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -97.9 -37.35 9.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.117 1.367 . . . . 0.0 112.285 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.337 0 C-N-CA 125.769 1.652 . . . . 0.0 114.05 179.194 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -123.65 146.05 48.49 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.364 1.066 . . . . 0.0 110.838 -170.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -70.58 -7.28 60.8 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.478 1.037 . . . . 0.0 115.123 -172.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -54.99 -33.56 62.66 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.069 1.348 . . . . 0.0 112.601 174.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.32 4.54 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 125.275 1.43 . . . . 0.0 113.734 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -76.18 -13.29 60.19 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.515 1.052 . . . . 0.0 113.838 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.45 -30.81 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.508 1.523 . . . . 0.0 109.609 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.73 -33.62 60.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.048 2.139 . . . . 0.0 111.273 171.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.95 -34.49 55.85 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.83 1.652 . . . . 0.0 112.363 172.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -52.72 -33.7 49.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.539 1.136 . . . . 0.0 112.433 175.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.98 -35.66 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.26 1.824 . . . . 0.0 111.877 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.84 -40.18 83.45 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.941 -1.099 . . . . 0.0 112.156 176.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -76.06 -1.24 24.99 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -92.01 -47.18 7.42 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.78 0.832 . . . . 0.0 110.786 169.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 67.62 -169.98 36.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.166 1.365 . . . . 0.0 114.376 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -165.33 149.73 8.73 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.822 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -83.12 -27.14 30.37 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.21 1.404 . . . . 0.0 114.376 -175.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.65 -21.52 19.98 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.309 0.959 . . . . 0.0 113.532 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 44.7 ttm -50.25 -62.95 1.28 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.61 1.164 . . . . 0.0 110.775 169.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -57.39 -32.52 66.9 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.671 1.189 . . . . 0.0 113.753 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -71.76 -38.31 70.39 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.769 0.827 . . . . 0.0 111.676 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . 0.471 HG23 ' HE2' ' C' ' 213' ' ' LYS . 51.2 m -82.34 -34.48 28.49 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.235 1.414 . . . . 0.0 112.829 -178.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.68 -47.54 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.0 0.818 . . . . 0.0 109.101 169.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.43 -48.95 78.84 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . 0.471 ' HE2' HG23 ' C' ' 210' ' ' THR . 11.1 pttt -63.04 -39.31 94.37 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.752 -1.218 . . . . 0.0 112.227 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.63 -31.07 71.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.685 1.194 . . . . 0.0 113.535 174.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -70.16 -45.53 66.53 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.627 0.771 . . . . 0.0 111.527 169.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.76 -27.37 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -169.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.72 -21.62 66.08 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -170.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 33.8 p -101.41 139.64 36.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.601 1.16 . . . . 0.0 112.5 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 96.8 mtm-85 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.243 1.417 . . . . 0.0 112.519 176.173 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.703 0.287 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -68.95 146.48 52.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.031 1.333 . . . . 0.0 111.463 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -77.58 37.75 1.64 Allowed Glycine 0 N--CA 1.474 1.196 0 C-N-CA 125.543 1.544 . . . . 0.0 115.465 -172.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.6 pp -56.49 -48.4 77.22 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 1.141 . . . . 0.0 111.914 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -62.47 -29.15 70.32 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.939 1.295 . . . . 0.0 113.105 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -71.63 -18.12 62.22 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.18 -44.3 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.125 1.37 . . . . 0.0 110.01 174.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.52 -32.89 74.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.021 1.328 . . . . 0.0 112.646 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -64.41 -25.77 68.16 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.177 -0.952 . . . . 0.0 112.958 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -67.35 -19.08 65.39 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.71 0.804 . . . . 0.0 112.92 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.0 mt -86.77 -46.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.631 1.172 . . . . 0.0 110.073 171.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -56.94 -38.26 72.67 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.77 -1.54 9.51 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -73.54 -19.16 60.98 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.368 1.067 . . . . 0.0 112.962 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 123.39 168.55 13.06 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.312 1.91 . . . . 0.0 113.511 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -160.42 131.75 5.78 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.43 1.492 . . . . 0.0 111.628 -175.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -154.66 -38.48 0.09 Allowed 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -71.92 -25.79 62.04 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.537 1.517 . . . . 0.0 113.662 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 13.7 mmt -55.31 -43.77 75.16 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.118 0.961 . . . . 0.0 109.663 169.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -75.28 -17.85 60.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.729 1.612 . . . . 0.0 112.108 -173.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -83.05 -45.24 14.26 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.799 0.84 . . . . 0.0 110.685 169.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 62.0 m -65.72 -51.56 58.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.908 1.683 . . . . 0.0 111.722 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.11 -35.95 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.337 1.055 . . . . 0.0 110.662 -172.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -57.24 -54.41 47.1 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.632 0.651 . . . . 0.0 111.254 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -63.33 -40.37 97.13 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.203 0.91 . . . . 0.0 111.929 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.79 -30.77 71.83 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -77.93 -40.44 39.61 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.587 0.755 . . . . 0.0 112.284 169.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 45.0 t -73.97 -36.23 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.2 -11.44 60.73 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -170.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 66.4 m -85.35 -6.79 59.21 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 173.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? . . . . . 0 C--O 1.254 1.309 0 C-N-CA 124.66 1.184 . . . . 0.0 112.021 179.605 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 120.261 0.077 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.25 -39.62 71.51 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -54.87 -46.93 99.42 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.14 -29.63 39.31 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.948 1.766 . . . . 0.0 113.417 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.2 tp -75.8 -43.96 43.67 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.12 1.327 . . . . 0.0 111.279 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.77 -35.35 80.32 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.477 1.111 . . . . 0.0 111.954 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.36 -33.07 69.23 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 119.158 -0.448 . . . . 0.0 112.159 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.01 -45.79 59.59 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.87 1.214 . . . . 0.0 112.597 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.5 pt -64.36 -33.65 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.109 0.868 . . . . 0.0 111.091 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.07 -27.15 72.66 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.744 1.164 . . . . 0.0 113.468 173.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -52.82 56.59 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.965 1.306 . . . . 0.0 109.994 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.03 -41.25 91.82 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.146 0.979 . . . . 0.0 111.891 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.78 -42.68 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.268 0.486 . . . . 0.0 110.274 176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.03 -37.57 73.57 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.35 0.976 . . . . 0.0 113.116 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mt -64.78 -39.67 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.679 0.792 . . . . 0.0 111.522 172.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -76.01 -58.75 3.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.601 1.16 . . . . 0.0 113.219 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.23 -23.21 64.78 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -66.48 -28.5 68.63 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -81.1 -38.88 26.55 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.251 1.02 . . . . 0.0 113.407 175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -58.44 -14.61 8.14 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 -172.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.54 -8.23 86.42 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.778 -1.012 . . . . 0.0 114.835 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -74.92 -45.24 43.91 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.488 1.644 . . . . 0.0 112.387 177.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -158.71 -11.81 0.07 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.397 1.628 . . . . 0.0 115.397 -173.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.13 -144.97 4.31 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.913 1.721 . . . . 0.0 113.168 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -149.49 -167.13 2.74 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.816 0.847 . . . . 0.0 112.399 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.26 -27.87 62.46 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.634 1.573 . . . . 0.0 115.123 -169.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -140.58 21.19 2.36 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 t -151.93 143.65 23.63 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.21 -0.931 . . . . 0.0 113.038 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.61 151.67 24.06 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.453 1.901 . . . . 0.0 110.756 172.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -79.64 159.1 26.88 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.231 -0.918 . . . . 0.0 109.21 167.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -61.73 -35.1 77.1 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 119.825 -1.797 . . . . 0.0 112.851 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.78 -38.71 64.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.958 1.303 . . . . 0.0 112.616 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.46 -40.85 96.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.705 1.202 . . . . 0.0 110.946 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.08 -42.87 99.73 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.222 1.409 . . . . 0.0 110.495 169.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -58.15 -34.2 70.01 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.382 -1.449 . . . . 0.0 111.73 174.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -72.22 -37.93 69.1 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.379 1.071 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.0 -53.53 54.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.985 0.914 . . . . 0.0 109.625 170.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.6 mt -58.71 -48.34 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.427 0.691 . . . . 0.0 112.002 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.91 -31.68 72.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.566 -0.73 . . . . 0.0 112.371 -175.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -85.9 -45.9 11.08 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.446 1.021 . . . . 0.0 113.273 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -84.56 -47.96 10.04 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.084 0.553 . . . . 0.0 111.746 -169.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.7 mp -84.62 -49.49 8.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 118.162 -0.923 . . . . 0.0 109.564 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 109.53 168.01 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 130.844 3.658 . . . . 0.0 112.509 169.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.7 mm -121.75 128.8 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 126.149 1.78 . . . . 0.0 108.759 172.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.64 -36.3 9.57 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.734 1.159 . . . . 0.0 111.913 173.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.3 p -155.99 147.07 22.31 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.958 1.303 . . . . 0.0 111.347 170.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -66.27 -6.76 15.0 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.54 -1.35 . . . . 0.0 114.561 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.29 -22.48 66.85 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.054 0.942 . . . . 0.0 111.661 169.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -74.99 -15.07 60.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.805 1.242 . . . . 0.0 113.182 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.78 -33.01 72.32 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.784 -1.197 . . . . 0.0 112.579 -172.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -29.27 68.16 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.398 1.479 . . . . 0.0 112.979 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -80.6 -38.12 29.95 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.383 1.073 . . . . 0.0 110.883 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.84 -40.07 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.236 -0.915 . . . . 0.0 112.006 176.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HA ' ' HG2' ' A' ' 57' ' ' MET . 30.0 m -66.12 -28.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.031 0.832 . . . . 0.0 112.664 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -75.53 -38.01 59.66 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.27 0.486 . . . . 0.0 111.84 169.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.43 -47.22 84.67 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.337 -0.852 . . . . 0.0 111.361 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.412 ' HG2' ' HA ' ' A' ' 54' ' ' VAL . 14.7 ptt? -67.93 -30.05 69.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.541 176.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.37 -33.13 71.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.421 1.088 . . . . 0.0 112.588 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -72.39 -26.52 61.91 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.254 1.022 . . . . 0.0 112.355 172.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.83 -42.3 24.6 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.298 1.439 . . . . 0.0 112.225 170.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.91 -4.4 12.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.175 2.19 . . . . 0.0 113.022 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -57.06 -19.47 19.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.245 1.418 . . . . 0.0 113.016 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.39 -45.04 84.92 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.196 0.999 . . . . 0.0 113.055 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -174.59 141.28 0.65 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 128.616 2.766 . . . . 0.0 109.655 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -52.92 -0.14 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.996 2.918 . . . . 0.0 118.365 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -125.98 -10.48 6.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.892 1.677 . . . . 0.0 114.025 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -160.18 159.35 31.51 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -169.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.9 t -116.88 100.3 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 127.291 2.236 . . . . 0.0 107.618 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.82 147.29 35.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.13 0.572 . . . . 0.0 111.475 -176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -53.06 -42.78 66.14 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.653 1.181 . . . . 0.0 114.008 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.16 -39.07 93.61 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.67 0.668 . . . . 0.0 111.723 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.97 -39.26 72.63 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.601 0.76 . . . . 0.0 111.223 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -58.66 -44.58 90.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.352 1.061 . . . . 0.0 112.049 175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.3 mm -65.59 -44.54 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.106 0.866 . . . . 0.0 111.19 173.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.9 m -57.97 -43.81 86.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.152 0.981 . . . . 0.0 111.305 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -67.76 -36.5 80.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.05 1.74 . . . . 0.0 112.686 177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.97 -27.36 68.09 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.907 0.776 . . . . 0.0 111.495 169.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.23 -33.4 68.92 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.629 1.109 . . . . 0.0 112.205 169.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.79 76.32 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 118.104 0.952 . . . . 0.0 111.354 171.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.95 -47.19 78.05 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.148 0.886 . . . . 0.0 110.884 170.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.63 80.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.348 1.059 . . . . 0.0 113.433 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -70.6 -39.03 74.03 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.811 1.244 . . . . 0.0 112.403 174.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.29 -31.3 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.918 1.287 . . . . 0.0 111.044 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -76.26 45.35 0.37 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.005 1.722 . . . . 0.0 110.799 169.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -54.49 -20.62 8.06 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 117.726 2.491 . . . . 0.0 117.726 -168.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.73 -25.86 68.4 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 121.827 2.103 . . . . 0.0 112.065 174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.03 -23.07 66.48 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.175 0.99 . . . . 0.0 113.506 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -97.21 1.37 49.67 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.203 1.801 . . . . 0.0 112.037 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -100.82 17.43 22.1 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.526 1.53 . . . . 0.0 113.041 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 C-N-CA 125.965 1.745 . . . . 0.0 114.613 177.772 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.37 -15.13 46.85 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -169.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -50.25 -41.75 68.23 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -171.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.37 -33.05 71.4 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 123.332 2.688 . . . . 0.0 113.143 175.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 44.4 tp -76.6 -42.99 40.43 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.36 0.527 . . . . 0.0 110.507 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -59.28 -40.27 85.56 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.071 0.949 . . . . 0.0 112.323 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -72.97 -24.31 60.76 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.52 -46.13 17.97 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.335 0.97 . . . . 0.0 112.189 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 32.9 pt -62.33 -34.91 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.524 1.056 . . . . 0.0 110.348 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.3 -23.97 68.67 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 125.39 1.471 . . . . 0.0 114.112 172.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -52.07 29.2 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.353 1.077 . . . . 0.0 110.224 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.81 -41.92 87.93 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.457 1.103 . . . . 0.0 111.585 174.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.33 -42.65 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.666 0.667 . . . . 0.0 110.648 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.86 -45.66 81.52 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 123.96 0.791 . . . . 0.0 113.028 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -60.41 -45.6 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.194 0.998 . . . . 0.0 111.261 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -67.97 -52.17 38.98 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.66 0.784 . . . . 0.0 112.373 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -72.04 -26.34 62.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.72 -38.79 67.51 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.791 0.836 . . . . 0.0 111.045 169.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -83.58 -43.79 15.3 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.5 p -67.59 -37.1 82.09 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.739 1.608 . . . . 0.0 112.687 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.7 0.66 89.25 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.839 1.209 . . . . 0.0 114.151 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -64.88 -32.47 74.19 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.418 1.609 . . . . 0.0 113.435 -173.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -100.81 4.13 42.62 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.696 1.198 . . . . 0.0 112.947 172.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 15.41 76.96 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.696 1.141 . . . . 0.0 114.51 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.38 -159.4 0.48 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -76.23 -175.54 3.22 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.668 1.987 . . . . 0.0 112.922 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -76.55 49.57 0.62 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 126.084 1.754 . . . . 0.0 112.454 169.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -137.82 153.75 49.6 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.976 1.71 . . . . 0.0 111.588 -173.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 95.1 mt -126.4 142.09 51.66 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.785 1.234 . . . . 0.0 110.733 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.1 p -79.27 159.67 27.16 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.374 -0.829 . . . . 0.0 109.171 168.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -60.27 -27.46 67.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 120.403 -1.435 . . . . 0.0 113.103 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -76.55 -42.12 44.05 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.151 1.38 . . . . 0.0 113.076 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.13 -32.87 72.55 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.92 -1.112 . . . . 0.0 111.53 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.5 tm? -62.41 -44.73 95.73 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.469 1.108 . . . . 0.0 109.929 169.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -58.48 -35.97 73.03 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.191 -0.943 . . . . 0.0 111.845 173.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.71 -43.51 88.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.726 0.81 . . . . 0.0 111.95 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.6 -52.53 61.91 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.298 1.039 . . . . 0.0 110.432 169.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -65.38 -46.4 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 118.606 -0.711 . . . . 0.0 112.451 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -72.18 -12.15 61.05 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.886 1.221 . . . . 0.0 112.899 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -85.56 -53.53 5.12 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.778 1.172 . . . . 0.0 111.2 169.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -78.77 -48.78 14.19 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.04 0.536 . . . . 0.0 112.423 -173.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.3 34.73 2.1 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.222 1.809 . . . . 0.0 110.204 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -49.72 136.57 17.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.037 2.135 . . . . 0.0 112.521 -174.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mt -118.97 123.14 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.343 1.457 . . . . 0.0 109.547 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.25 131.1 38.67 Favored Glycine 0 CA--C 1.531 1.089 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 27.2 m 68.13 3.18 3.51 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 126.066 1.747 . . . . 0.0 113.879 -174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp 61.12 27.47 17.26 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.873 2.069 . . . . 0.0 114.835 173.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -74.87 168.1 20.57 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.142 -0.973 . . . . 0.0 110.41 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 65.81 -2.65 0.85 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.931 2.092 . . . . 0.0 113.564 -170.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -21.71 66.45 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.204 -1.56 . . . . 0.0 113.047 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.22 -30.67 71.26 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.842 1.257 . . . . 0.0 112.351 169.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.72 -29.83 32.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.229 1.012 . . . . 0.0 110.873 171.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 48.5 mm -70.41 -39.0 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 121.103 -0.998 . . . . 0.0 111.943 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.98 -23.57 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-N 119.303 0.956 . . . . 0.0 112.359 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -78.39 -40.47 36.0 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.189 169.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.45 -46.31 80.41 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.715 1.143 . . . . 0.0 111.983 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -25.69 65.82 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.207 0.912 . . . . 0.0 112.47 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.87 -31.78 51.56 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.75 1.22 . . . . 0.0 113.03 171.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -70.36 -29.45 66.13 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.66 1.184 . . . . 0.0 111.746 170.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.21 -45.94 62.27 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.573 1.149 . . . . 0.0 110.537 168.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.89 -15.78 45.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.0 1.72 . . . . 0.0 113.741 174.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -59.35 -29.38 67.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 112.306 171.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -77.66 -36.8 51.03 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.038 0.935 . . . . 0.0 112.87 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -159.04 129.77 6.02 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.283 1.833 . . . . 0.0 110.663 169.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -76.58 136.88 39.26 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.467 1.107 . . . . 0.0 113.455 -169.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 76.32 -36.6 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 129.813 3.245 . . . . 0.0 111.996 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -139.05 126.25 21.35 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.605 1.962 . . . . 0.0 109.731 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 52.2 t -105.86 128.53 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.835 2.054 . . . . 0.0 108.779 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.78 155.17 24.37 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.687 0.795 . . . . 0.0 112.932 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -44.55 -46.09 9.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.616 1.566 . . . . 0.0 114.866 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -62.71 -38.43 90.39 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.127 -0.983 . . . . 0.0 111.68 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -75.67 -33.11 60.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.502 1.121 . . . . 0.0 111.363 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -63.09 -44.41 95.78 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.928 0.891 . . . . 0.0 111.63 171.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.05 -43.13 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 121.068 -1.02 . . . . 0.0 110.676 171.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 71.5 m -57.31 -45.41 84.25 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.074 0.949 . . . . 0.0 110.983 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -68.36 -36.41 79.18 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.654 0.782 . . . . 0.0 112.65 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.29 -26.26 68.41 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.058 1.299 . . . . 0.0 111.58 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.1 -38.09 83.11 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 118.884 0.765 . . . . 0.0 112.309 169.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.26 86.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.446 1.123 . . . . 0.0 111.769 170.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.49 -42.29 91.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.091 1.356 . . . . 0.0 111.441 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.43 -31.95 69.75 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.692 1.197 . . . . 0.0 112.902 172.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 84.4 mtp -74.43 -24.8 59.13 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 28.3 mm -66.55 -33.04 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 120.185 1.357 . . . . 0.0 111.527 169.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -72.62 55.1 0.36 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.908 1.283 . . . . 0.0 112.719 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -47.6 -38.79 15.26 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.337 2.255 . . . . 0.0 115.008 -170.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.74 -30.81 71.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.899 -177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.05 -24.59 66.0 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.97 -1.081 . . . . 0.0 112.313 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.5 mt -100.53 15.4 28.11 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.272 2.229 . . . . 0.0 112.164 172.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -111.73 -43.91 3.56 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.584 1.554 . . . . 0.0 111.029 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.446 0 C-N-CA 125.799 1.666 . . . . 0.0 113.268 178.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.295 0.093 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -164.21 160.89 21.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.376 1.87 . . . . 0.0 111.265 -176.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 173.47 -176.51 46.09 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.717 1.151 . . . . 0.0 113.593 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.49 -36.19 61.42 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.773 1.229 . . . . 0.0 113.246 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -57.4 -31.89 66.28 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.688 1.195 . . . . 0.0 112.517 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -78.7 -16.43 57.27 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 48.4 t -88.13 -37.49 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 125.123 1.369 . . . . 0.0 109.497 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.17 -28.48 65.36 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.589 1.956 . . . . 0.0 112.406 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -54.07 -34.07 59.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.927 1.291 . . . . 0.0 112.428 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -21.91 66.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.426 1.091 . . . . 0.0 112.803 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.65 -43.93 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.243 1.417 . . . . 0.0 110.112 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -52.42 -43.53 64.87 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.064 0.946 . . . . 0.0 112.545 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.65 -5.09 46.43 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -86.71 -22.2 26.18 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.156 0.982 . . . . 0.0 112.717 175.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 149.73 160.06 9.01 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.899 1.237 . . . . 0.0 114.742 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -159.49 37.17 0.2 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.665 1.986 . . . . 0.0 111.072 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.88 -30.52 69.06 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.21 1.404 . . . . 0.0 114.671 -170.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -82.28 -15.13 54.09 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 176.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 24.6 mmt -65.72 -47.04 76.69 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.977 1.262 . . . . 0.0 109.593 169.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -54.46 -35.53 63.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.973 0.909 . . . . 0.0 111.954 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -80.85 -47.11 14.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.727 1.611 . . . . 0.0 112.713 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 9.9 m -83.26 -35.88 24.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.664 0.786 . . . . 0.0 112.729 -171.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.63 -38.18 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 CA-C-N 118.727 0.694 . . . . 0.0 110.593 173.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -62.05 -54.63 38.75 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.491 0.716 . . . . 0.0 111.403 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -56.06 -47.65 77.52 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.919 -1.113 . . . . 0.0 113.028 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.59 71.55 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 43.1 t90 -71.11 -49.05 48.41 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.735 0.698 . . . . 0.0 111.579 170.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.1 -44.09 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 125.943 1.697 . . . . 0.0 111.949 -175.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.88 -8.42 52.71 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.374 1.869 . . . . 0.0 113.941 -173.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 61.1 m -123.02 11.52 9.56 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.961 1.305 . . . . 0.0 114.318 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 124.935 1.294 . . . . 0.0 112.859 178.179 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.186 0.041 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -72.95 156.48 38.81 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.925 1.29 . . . . 0.0 112.361 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 171.29 110.19 0.23 Allowed Glycine 0 N--CA 1.469 0.899 0 C-N-CA 123.992 0.805 . . . . 0.0 113.408 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.72 -33.91 70.75 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.551 1.141 . . . . 0.0 113.06 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.7 ptp -57.19 -30.0 64.17 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.735 1.214 . . . . 0.0 113.856 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -68.12 -19.65 64.85 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.043 -1.035 . . . . 0.0 113.22 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.0 t -98.16 -45.61 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.226 1.411 . . . . 0.0 110.036 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.97 -30.74 67.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.769 1.227 . . . . 0.0 113.248 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -59.01 -34.57 72.03 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.97 0.804 . . . . 0.0 111.472 172.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -63.29 -21.69 66.41 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 30.5 mm -81.65 -32.35 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.72 1.208 . . . . 0.0 111.303 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -74.7 -34.68 62.66 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.327 -0.858 . . . . 0.0 111.352 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -73.15 -1.58 18.12 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.753 1.621 . . . . 0.0 113.855 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.29 -13.35 55.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.967 1.307 . . . . 0.0 112.688 170.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 122.51 153.99 8.98 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.254 1.883 . . . . 0.0 113.273 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -166.18 139.89 4.22 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.952 1.701 . . . . 0.0 111.057 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -143.19 -55.53 0.4 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.321 1.049 . . . . 0.0 112.711 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.53 -25.83 68.43 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 33.5 tpp -58.3 -51.88 67.94 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.17 0.588 . . . . 0.0 110.981 171.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . 0.294 0.0 OUTLIER -69.87 -18.41 63.41 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 175.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -74.38 -36.04 63.51 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.112 1.323 . . . . 0.0 112.015 169.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 82.4 m -73.18 -52.33 14.53 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.812 1.645 . . . . 0.0 111.091 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.41 -39.42 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 122.818 0.447 . . . . 0.0 111.752 -173.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -58.16 -57.4 13.03 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.402 -0.811 . . . . 0.0 111.457 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.99 -37.43 82.43 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.41 -0.806 . . . . 0.0 112.621 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.94 -20.19 61.79 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -89.73 -44.26 10.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.141 0.976 . . . . 0.0 111.571 169.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 53.4 t -74.89 -15.08 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.836 1.254 . . . . 0.0 113.311 -169.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.94 -5.33 0.95 Allowed 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 50.2 m -66.38 -12.19 55.53 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.719 -1.238 . . . . 0.0 114.061 169.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.178 1.791 . . . . 0.0 113.498 -177.358 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.42 5.71 0.73 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -174.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -39.02 -47.92 3.88 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -169.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -65.35 -39.63 21.86 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.418 2.078 . . . . 0.0 113.898 -174.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -81.66 -38.52 25.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.854 0.461 . . . . 0.0 111.634 171.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -58.24 -37.36 74.75 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.749 1.22 . . . . 0.0 112.994 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -71.41 -30.49 66.15 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.673 -0.642 . . . . 0.0 112.71 174.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -44.33 46.64 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.471 1.032 . . . . 0.0 112.465 177.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.6 pt -64.54 -36.02 76.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.474 1.034 . . . . 0.0 110.85 170.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.12 -28.89 64.64 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.002 1.287 . . . . 0.0 113.521 173.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -55.64 16.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.135 0.974 . . . . 0.0 110.598 174.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -57.46 -42.18 82.05 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.816 1.246 . . . . 0.0 111.634 176.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.535 HD11 ' HB1' ' B' ' 81' ' ' ALA . 57.0 mt -62.89 -45.54 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.303 178.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.67 -36.03 62.18 Favored Glycine 0 N--CA 1.469 0.843 0 C-N-CA 123.457 0.551 . . . . 0.0 113.097 -177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 mt -63.52 -43.24 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.792 0.837 . . . . 0.0 111.048 172.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -71.92 -55.59 7.21 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.711 0.804 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -67.34 -24.28 65.7 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -168.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -70.39 -28.91 65.45 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.369 -0.832 . . . . 0.0 112.88 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -81.96 -22.57 36.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -61.01 -17.01 49.78 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.63 0.69 70.87 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.633 1.111 . . . . 0.0 115.11 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -70.79 -45.15 65.21 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.639 1.719 . . . . 0.0 113.113 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -161.66 -23.6 0.05 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.7 -169.35 44.98 Favored Glycine 0 CA--C 1.537 1.429 0 CA-C-N 119.667 1.121 . . . . 0.0 114.135 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -66.01 148.18 52.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.983 0.913 . . . . 0.0 111.586 169.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -51.07 -23.27 2.94 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.048 1.739 . . . . 0.0 115.66 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -127.56 22.45 6.42 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.29 175.26 7.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.575 1.55 . . . . 0.0 111.322 175.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 mt -134.67 130.87 37.0 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.533 1.133 . . . . 0.0 109.923 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.2 t -76.8 152.34 35.58 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.687 -0.633 . . . . 0.0 109.972 169.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -58.49 -32.36 68.72 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 119.663 -1.898 . . . . 0.0 113.592 -174.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -67.49 -46.1 73.93 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.533 1.533 . . . . 0.0 112.329 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.11 -35.93 82.35 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.645 1.978 . . . . 0.0 111.291 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.86 -42.88 84.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.703 1.601 . . . . 0.0 110.757 169.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -59.39 -39.53 83.67 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.544 -1.348 . . . . 0.0 111.89 174.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -61.52 -43.83 98.16 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.422 0.689 . . . . 0.0 111.985 173.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.24 -55.8 27.22 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.982 0.81 . . . . 0.0 110.57 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mt -60.96 -46.1 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.891 0.769 . . . . 0.0 111.608 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.548 HE22 HG22 ' A' ' 44' ' ' ILE . 30.8 mm-40 -73.73 -20.95 60.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.592 1.087 . . . . 0.0 113.871 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtmm -87.9 -45.35 10.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.333 1.424 . . . . 0.0 114.415 169.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -82.04 -48.35 11.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.738 -173.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -83.27 -64.45 1.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 76.19 139.41 0.07 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 130.561 3.544 . . . . 0.0 112.404 -177.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.548 HG22 HE22 ' A' ' 39' ' ' GLN . 0.7 OUTLIER -119.51 -8.15 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.32 1.048 . . . . 0.0 112.291 169.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 -141.98 33.67 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.658 1.123 . . . . 0.0 112.374 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.1 p -78.94 -1.19 34.12 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.474 1.51 . . . . 0.0 113.873 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -62.29 142.41 57.76 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.721 1.209 . . . . 0.0 112.736 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.95 -11.73 49.65 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.95 -10.06 8.65 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.286 1.434 . . . . 0.0 113.387 174.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -58.73 -26.64 64.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 120.588 1.54 . . . . 0.0 112.133 169.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.63 70.1 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.029 0.932 . . . . 0.0 112.602 170.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.93 -33.12 30.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.396 1.078 . . . . 0.0 111.059 170.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.8 mm -64.17 -42.14 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 119.151 0.887 . . . . 0.0 112.109 173.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.87 -24.84 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.38 0.991 . . . . 0.0 112.116 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -79.08 -35.23 42.77 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.196 0.907 . . . . 0.0 111.831 169.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -65.04 -39.39 93.28 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.583 1.083 . . . . 0.0 112.363 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -27.59 68.29 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.602 1.092 . . . . 0.0 112.208 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.06 -25.13 47.57 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.006 1.322 . . . . 0.0 113.343 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -74.26 -37.91 63.6 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.706 1.203 . . . . 0.0 111.825 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.26 -38.1 87.99 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.263 1.025 . . . . 0.0 110.722 169.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -80.36 -6.76 58.51 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.17 66.75 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.638 -1.289 . . . . 0.0 112.197 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -77.2 -15.04 59.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 112.664 170.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -118.82 -143.72 0.36 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.539 2.336 . . . . 0.0 111.893 -169.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -158.68 1.16 0.09 Allowed 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -172.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 175.01 -41.98 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 128.098 2.559 . . . . 0.0 111.121 -174.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -147.24 147.89 30.91 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.039 1.336 . . . . 0.0 112.131 -169.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.85 128.7 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 127.01 2.124 . . . . 0.0 110.911 -172.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -79.3 156.93 27.84 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.587 1.155 . . . . 0.0 111.367 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -48.38 -40.92 27.3 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.44 -38.22 84.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.17 -0.956 . . . . 0.0 111.846 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.92 -33.63 64.03 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.511 0.724 . . . . 0.0 111.993 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -61.1 -40.15 92.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.132 0.973 . . . . 0.0 111.49 170.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mm -63.68 -48.13 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.643 0.777 . . . . 0.0 111.348 171.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 92.9 m -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.326 0.966 . . . . 0.0 111.848 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -67.37 -39.6 85.7 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.033 0.933 . . . . 0.0 112.317 175.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.0 mt -65.94 -27.51 68.22 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.61 1.096 . . . . 0.0 111.605 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.77 85.09 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.913 0.768 . . . . 0.0 112.164 169.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.77 50.59 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.189 0.994 . . . . 0.0 110.962 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.9 tp -53.64 -44.25 69.42 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.95 1.3 . . . . 0.0 111.418 178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.526 ' HB1' HD11 ' B' ' 13' ' ' ILE . . . -60.18 -32.18 70.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.134 1.373 . . . . 0.0 113.093 174.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.4 ttt -79.71 -32.61 41.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.125 0.97 . . . . 0.0 112.853 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.8 mm -67.24 -31.67 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.306 0.957 . . . . 0.0 110.452 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -71.56 45.84 0.11 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.697 1.999 . . . . 0.0 111.998 171.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -53.66 -23.6 11.81 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.904 2.882 . . . . 0.0 117.086 -169.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.29 -23.44 62.86 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 120.892 1.678 . . . . 0.0 111.933 175.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.37 -30.36 69.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.793 0.837 . . . . 0.0 112.592 170.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.64 -38.81 47.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.46 1.104 . . . . 0.0 110.973 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -63.57 -50.44 69.46 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.213 1.405 . . . . 0.0 111.927 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 C-N-CA 125.253 1.406 . . . . 0.0 113.62 179.037 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.5 tpp . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.27 -21.17 8.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -169.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.36 -48.66 34.46 Favored Pre-proline 0 CA--C 1.546 0.814 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -66.35 -37.51 23.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 123.395 2.73 . . . . 0.0 113.448 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 tp -73.96 -42.5 60.41 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.956 0.798 . . . . 0.0 110.676 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.24 -34.64 78.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.79 1.236 . . . . 0.0 112.623 -176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -74.93 -27.99 60.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 169.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.88 -46.95 27.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.574 1.079 . . . . 0.0 112.2 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.7 pt -63.62 -31.92 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.691 0.678 . . . . 0.0 110.921 170.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.6 -24.65 73.96 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-O 118.915 -0.936 . . . . 0.0 114.146 171.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -50.69 53.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 118.925 1.362 . . . . 0.0 109.939 174.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.95 -41.72 92.47 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.5 0.72 . . . . 0.0 112.105 177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.526 HD11 ' HB1' ' A' ' 81' ' ' ALA . 79.0 mt -67.54 -42.28 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.589 0.632 . . . . 0.0 110.617 175.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.2 -43.18 95.81 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-N 118.595 0.634 . . . . 0.0 112.835 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mt -59.67 -40.95 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.416 1.086 . . . . 0.0 111.472 173.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -68.25 -47.57 67.4 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.206 0.602 . . . . 0.0 111.304 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -69.71 -23.0 63.35 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -54.44 -53.5 53.31 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.416 1.007 . . . . 0.0 110.139 168.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -83.13 -40.43 19.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.788 1.635 . . . . 0.0 114.207 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 94.9 p -69.42 -37.25 77.36 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.868 -1.145 . . . . 0.0 112.085 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.82 -22.23 79.21 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.433 1.016 . . . . 0.0 113.86 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -67.34 -35.11 78.72 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.512 1.156 . . . . 0.0 111.914 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.64 -25.69 23.41 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.253 1.021 . . . . 0.0 112.946 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.3 14.13 64.58 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.258 0.932 . . . . 0.0 113.198 -170.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -76.76 -31.75 57.26 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.377 1.471 . . . . 0.0 111.952 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttp 68.16 -65.71 0.25 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 128.107 2.563 . . . . 0.0 115.177 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -108.84 16.43 22.74 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.993 1.317 . . . . 0.0 113.799 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t -151.52 164.12 37.52 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.365 1.866 . . . . 0.0 111.203 175.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -131.17 138.51 49.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.718 1.607 . . . . 0.0 110.945 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 72.6 m -80.42 152.96 28.55 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 168.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -53.22 -40.08 64.23 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.537 -1.352 . . . . 0.0 113.69 -174.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -63.5 -34.42 77.74 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -76.67 -36.49 57.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.136 0.974 . . . . 0.0 111.259 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.23 -38.77 90.48 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.926 0.89 . . . . 0.0 109.8 169.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -60.76 -43.59 97.82 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.587 -1.321 . . . . 0.0 112.382 173.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.86 -42.53 98.04 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.797 0.839 . . . . 0.0 111.494 174.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -55.96 -55.47 32.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.193 0.997 . . . . 0.0 110.758 172.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 74.0 mt -58.33 -49.51 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.845 -177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.77 -27.54 68.36 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.004 0.82 . . . . 0.0 113.073 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.54 -43.54 12.63 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -85.5 -29.94 23.85 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.227 0.921 . . . . 0.0 113.142 -173.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.4 mp -109.62 79.95 1.27 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.35 1.46 . . . . 0.0 107.941 170.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.7 p -61.56 135.36 57.62 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.742 1.617 . . . . 0.0 112.449 -171.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -128.39 132.54 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.077 1.751 . . . . 0.0 109.379 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.59 -120.14 4.39 Favored Glycine 0 N--CA 1.471 0.994 0 C-N-CA 125.625 1.583 . . . . 0.0 111.032 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -72.13 -3.8 25.33 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.548 1.139 . . . . 0.0 113.352 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.69 54.4 1.22 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.658 1.983 . . . . 0.0 112.147 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.1 mp -58.89 123.66 17.23 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.757 1.223 . . . . 0.0 111.566 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -155.03 23.95 0.43 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.233 1.813 . . . . 0.0 111.707 177.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.91 -26.12 68.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.967 -1.083 . . . . 0.0 112.561 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -26.81 68.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.704 1.201 . . . . 0.0 113.389 169.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -81.66 -37.76 26.97 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.035 0.934 . . . . 0.0 110.319 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 43.9 mm -60.05 -44.02 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 121.414 -0.804 . . . . 0.0 111.788 176.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.9 m -65.09 -32.01 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 119.059 0.845 . . . . 0.0 112.739 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -74.35 -29.83 61.75 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.781 0.719 . . . . 0.0 111.902 171.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.76 -36.21 81.91 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.949 -1.094 . . . . 0.0 112.103 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 29.4 mtm -59.06 -42.71 90.97 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.728 1.149 . . . . 0.0 111.397 171.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.35 -27.9 66.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.823 1.249 . . . . 0.0 112.317 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -81.01 -27.45 35.84 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.69 -44.86 69.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.832 0.853 . . . . 0.0 110.124 169.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -77.89 -5.51 51.23 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.035 1.734 . . . . 0.0 113.857 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -56.58 -28.55 60.5 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.889 -1.132 . . . . 0.0 111.696 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -73.98 -9.68 58.88 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.289 1.436 . . . . 0.0 113.428 175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -144.8 -123.53 0.08 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 126.111 1.764 . . . . 0.0 111.398 -174.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -171.96 1.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -175.51 -49.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 111.286 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.43 145.73 35.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 112.113 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -96.41 96.4 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 126.066 1.746 . . . . 0.0 106.699 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.03 171.63 14.95 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.916 0.886 . . . . 0.0 110.95 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.15 -56.88 10.37 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.11 -31.5 71.14 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.352 1.433 . . . . 0.0 112.296 -169.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -73.78 -29.01 61.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.11 0.964 . . . . 0.0 112.199 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -65.79 -42.86 90.24 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.474 1.034 . . . . 0.0 110.977 169.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mm -61.89 -47.75 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.274 0.63 . . . . 0.0 110.685 172.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 99.4 m -60.91 -41.95 97.12 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.77 1.228 . . . . 0.0 111.473 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.83 -40.17 94.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.763 0.825 . . . . 0.0 112.109 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.18 -22.09 66.64 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.862 0.756 . . . . 0.0 112.195 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.81 54.8 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 124.437 1.017 . . . . 0.0 112.466 169.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.91 99.9 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.282 1.041 . . . . 0.0 111.828 172.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.54 -45.38 85.15 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.78 1.232 . . . . 0.0 111.124 173.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . 0.535 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -63.34 -37.94 89.23 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.294 1.438 . . . . 0.0 113.545 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 98.1 mtp -68.06 -38.32 82.3 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.114 0.87 . . . . 0.0 112.747 172.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 74.5 mt -67.24 -26.66 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.59 0.756 . . . . 0.0 111.055 174.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -75.61 49.26 0.49 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.329 1.451 . . . . 0.0 111.365 169.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -45.14 -31.22 1.34 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.215 2.606 . . . . 0.0 116.875 -169.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.26 -29.18 69.69 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.467 1.485 . . . . 0.0 113.11 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.31 -22.64 64.7 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.758 -1.214 . . . . 0.0 112.849 173.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.74 21.32 9.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.319 1.848 . . . . 0.0 111.541 173.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -139.7 -44.5 0.44 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.158 1.383 . . . . 0.0 112.364 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 C-N-CA 126.451 1.977 . . . . 0.0 113.032 173.277 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.425 0.155 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -163.41 156.69 19.05 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.551 1.941 . . . . 0.0 111.602 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -90.65 160.3 27.62 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 124.398 0.999 . . . . 0.0 112.503 175.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -52.92 -33.46 50.73 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.089 1.356 . . . . 0.0 113.017 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -55.36 -29.24 58.01 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.882 1.273 . . . . 0.0 112.504 -178.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -70.17 -17.02 63.16 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.64 -38.59 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 125.128 1.371 . . . . 0.0 109.268 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.23 -32.75 74.37 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.523 1.529 . . . . 0.0 112.004 173.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -57.69 -33.54 68.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.788 1.235 . . . . 0.0 112.729 169.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.99 -23.49 67.23 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.976 -1.078 . . . . 0.0 112.376 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.54 -37.8 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.956 1.303 . . . . 0.0 110.69 175.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -59.58 -40.36 87.16 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.464 0.706 . . . . 0.0 111.76 170.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -73.31 -0.91 15.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.463 1.505 . . . . 0.0 113.815 173.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -112.15 2.59 16.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.072 1.749 . . . . 0.0 112.901 169.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -81.27 -166.84 37.11 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.233 1.397 . . . . 0.0 113.776 -175.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -139.13 159.76 41.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.747 1.619 . . . . 0.0 111.17 -173.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.51 -4.6 40.7 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -60.7 -19.42 58.6 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.694 1.198 . . . . 0.0 113.91 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 26.0 ptp -58.12 -47.59 82.81 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.146 0.884 . . . . 0.0 110.299 170.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -64.7 -34.7 78.92 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.775 1.63 . . . . 0.0 111.013 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -68.11 -24.21 65.0 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.606 0.762 . . . . 0.0 112.302 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 29.8 m -94.2 -39.3 10.62 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.606 1.162 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 41.6 mm -55.48 -43.82 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.571 0.748 . . . . 0.0 110.402 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -55.22 -55.32 32.65 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.509 0.724 . . . . 0.0 112.11 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -58.3 -43.66 88.18 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.31 -0.869 . . . . 0.0 112.738 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.3 79.25 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.624 0.647 . . . . 0.0 112.66 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -42.18 76.15 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.644 0.778 . . . . 0.0 111.795 174.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 45.7 t -60.61 -40.47 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 124.663 1.185 . . . . 0.0 111.858 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -68.6 -3.13 10.7 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.104 1.762 . . . . 0.0 114.377 -174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 49.8 m -72.54 -15.26 61.77 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.698 -1.251 . . . . 0.0 113.147 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 . . . . . 0 C--O 1.255 1.35 0 C-N-CA 125.784 1.633 . . . . 0.0 113.197 -178.229 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 111.547 0.203 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -74.3 -40.05 62.52 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.816 0.846 . . . . 0.0 112.375 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 81.14 163.32 30.29 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 125.067 1.318 . . . . 0.0 113.928 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.16 -30.64 70.52 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.525 1.13 . . . . 0.0 113.371 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -51.5 -33.91 33.55 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.181 1.793 . . . . 0.0 112.827 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.14 -8.64 57.47 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -96.64 -39.02 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.663 1.585 . . . . 0.0 109.072 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 9.2 mp -60.2 -41.23 92.53 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.208 1.803 . . . . 0.0 110.952 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -51.18 -42.51 60.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.595 1.558 . . . . 0.0 112.727 172.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -58.49 -27.55 64.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.765 0.826 . . . . 0.0 113.105 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 14.5 mm -90.94 -34.96 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.272 1.429 . . . . 0.0 110.468 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -63.05 -38.46 91.27 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.098 -1.002 . . . . 0.0 112.121 172.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.86 -0.29 20.72 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.263 1.025 . . . . 0.0 113.731 176.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -108.09 -45.94 3.85 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.969 1.308 . . . . 0.0 112.399 170.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -123.69 120.82 4.28 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 125.646 1.593 . . . . 0.0 113.582 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -175.96 117.95 0.14 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.892 2.477 . . . . 0.0 109.521 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -163.56 -53.72 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.816 0.847 . . . . 0.0 113.116 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.77 -26.04 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.312 -0.867 . . . . 0.0 112.177 -177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.4 tpp -51.57 -56.06 15.63 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 124.599 1.16 . . . . 0.0 109.594 168.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.5 -35.12 71.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.38 1.072 . . . . 0.0 112.469 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -68.98 -42.09 77.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.62 0.645 . . . . 0.0 111.807 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 22.2 m -73.88 -38.43 64.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.361 1.064 . . . . 0.0 111.756 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.29 -43.53 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.291 0.636 . . . . 0.0 110.954 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.16 -48.07 82.95 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.075 0.852 . . . . 0.0 111.553 172.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -57.58 -45.3 85.41 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.36 -0.838 . . . . 0.0 112.945 176.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.33 -28.66 64.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 39.9 t90 -75.7 -49.9 16.96 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.315 0.646 . . . . 0.0 111.208 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.08 -40.36 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 122.026 0.917 . . . . 0.0 112.585 -169.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -59.58 -26.69 65.62 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 113.711 -1.586 . . . . 0.0 112.461 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 58.3 m -103.67 16.19 27.01 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.421 1.488 . . . . 0.0 114.282 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 C-N-CA 124.968 1.307 . . . . 0.0 114.192 174.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.67 -20.57 49.35 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 118.234 2.679 . . . . 0.0 118.234 -169.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -52.2 -37.23 40.47 Favored Pre-proline 0 CA--C 1.551 1.015 0 N-CA-C 116.922 2.194 . . . . 0.0 116.922 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -66.12 -36.93 27.27 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.064 2.509 . . . . 0.0 113.52 177.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 tp -81.26 -37.73 28.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.014 0.824 . . . . 0.0 111.895 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.25 -42.51 86.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.133 1.373 . . . . 0.0 111.487 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -69.96 -19.06 63.38 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.69 10.32 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.329 0.968 . . . . 0.0 112.264 171.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 pt -64.69 -32.72 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 119.274 0.943 . . . . 0.0 112.219 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.75 -23.32 78.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 119.488 -0.618 . . . . 0.0 113.553 172.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -52.64 62.59 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.488 1.144 . . . . 0.0 109.66 175.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.57 -38.59 78.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.599 1.16 . . . . 0.0 111.47 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.42 -51.35 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.755 0.822 . . . . 0.0 112.073 173.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.16 76.2 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 123.904 0.764 . . . . 0.0 113.348 -176.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mt -75.11 -42.05 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.37 1.068 . . . . 0.0 111.995 169.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -68.62 -57.19 6.09 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.822 0.849 . . . . 0.0 112.648 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -68.81 -20.35 64.32 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -171.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' C' ' 215' ' ' TRP . 35.8 ttmt -59.17 -40.88 86.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.784 1.234 . . . . 0.0 111.197 169.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.34 -25.81 33.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 m -61.8 -41.88 98.31 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.323 1.419 . . . . 0.0 110.739 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.51 -4.69 9.95 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.841 1.686 . . . . 0.0 114.816 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -66.51 -24.23 66.36 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.671 1.235 . . . . 0.0 111.788 169.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -118.74 -30.71 5.03 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.932 0.893 . . . . 0.0 112.42 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.17 -154.99 26.0 Favored Glycine 0 N--CA 1.473 1.159 0 CA-C-N 119.012 0.824 . . . . 0.0 114.429 174.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -74.68 104.24 5.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.589 1.156 . . . . 0.0 111.406 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -159.45 143.67 15.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.576 1.55 . . . . 0.0 112.751 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -94.0 24.29 4.37 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.17 1.388 . . . . 0.0 113.289 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.9 t -146.38 148.46 32.35 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.705 2.002 . . . . 0.0 109.848 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tp -120.3 131.77 55.04 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.739 1.615 . . . . 0.0 110.104 -172.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.6 t -78.4 151.36 32.81 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.58 -0.7 . . . . 0.0 111.814 177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -60.22 -36.04 76.81 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 119.398 -2.064 . . . . 0.0 114.054 -171.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -79.84 -29.82 40.22 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.561 -1.337 . . . . 0.0 112.992 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.21 -38.65 91.12 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.646 1.578 . . . . 0.0 110.34 171.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.7 tm? -63.53 -45.1 92.14 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.533 1.933 . . . . 0.0 110.209 169.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -59.17 -36.73 75.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.561 -1.337 . . . . 0.0 111.96 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.69 -42.31 86.67 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.726 0.811 . . . . 0.0 111.81 173.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.06 -53.08 60.44 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.053 0.941 . . . . 0.0 110.438 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.96 -45.83 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 118.778 0.717 . . . . 0.0 111.468 -177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -66.03 -25.02 66.86 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.608 1.095 . . . . 0.0 113.59 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.9 -59.08 2.4 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.405 1.002 . . . . 0.0 113.003 170.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.16 -3.63 58.85 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -169.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -136.14 49.64 2.11 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.21 2.204 . . . . 0.0 107.274 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -38.62 124.9 1.37 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 130.009 3.324 . . . . 0.0 113.487 -169.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -101.84 134.08 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.569 1.148 . . . . 0.0 109.686 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.29 42.95 2.21 Favored Glycine 0 N--CA 1.476 1.306 0 C-N-CA 125.006 1.288 . . . . 0.0 114.209 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 m 61.14 25.09 15.13 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.374 1.87 . . . . 0.0 114.375 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.66 170.1 15.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.463 1.505 . . . . 0.0 113.159 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.55 -1.95 17.94 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.546 1.538 . . . . 0.0 113.952 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -53.54 -24.68 14.14 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.491 1.916 . . . . 0.0 113.466 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.57 -24.96 64.17 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.018 -1.051 . . . . 0.0 113.219 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.04 -29.56 69.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.384 1.074 . . . . 0.0 112.767 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -81.25 -33.02 33.05 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.688 0.795 . . . . 0.0 110.509 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.3 mm -63.1 -42.38 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 O-C-N 121.22 -0.925 . . . . 0.0 112.114 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 m -64.32 -30.34 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 CA-C-N 120.364 1.438 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -76.53 -35.99 57.97 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.089 0.859 . . . . 0.0 112.995 171.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.57 -34.24 77.45 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.175 -0.953 . . . . 0.0 111.928 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.8 ttp -60.11 -41.64 93.0 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.199 1.4 . . . . 0.0 111.21 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.25 -37.18 86.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.363 1.065 . . . . 0.0 112.541 171.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -72.91 -17.76 61.48 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 172.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -81.3 -46.69 14.37 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.766 1.227 . . . . 0.0 110.62 169.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.09 -22.77 61.34 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.51 1.524 . . . . 0.0 113.066 170.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -59.37 -22.97 62.14 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.247 1.819 . . . . 0.0 113.162 172.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -73.32 -45.59 54.48 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.57 -0.706 . . . . 0.0 111.885 173.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -161.59 137.13 7.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.589 1.556 . . . . 0.0 112.379 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.98 126.85 28.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.623 1.569 . . . . 0.0 113.504 -173.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 74.26 -44.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 129.399 3.08 . . . . 0.0 113.447 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.24 139.19 50.8 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.363 1.065 . . . . 0.0 111.962 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.11 126.08 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 127.346 2.258 . . . . 0.0 109.007 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -76.84 154.61 33.69 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.806 -0.559 . . . . 0.0 110.85 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -46.85 -46.05 20.67 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.91 -34.79 78.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.087 -1.008 . . . . 0.0 111.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.48 -34.35 72.28 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.631 1.172 . . . . 0.0 111.567 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -65.35 -44.66 87.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.686 1.594 . . . . 0.0 111.567 170.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.18 -44.02 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.411 1.005 . . . . 0.0 110.29 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.2 m -59.03 -46.71 87.53 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.709 1.203 . . . . 0.0 111.176 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -66.63 -37.06 84.06 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.843 0.457 . . . . 0.0 112.206 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.22 -29.08 69.26 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.39 0.995 . . . . 0.0 112.388 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.59 86.6 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.109 0.862 . . . . 0.0 112.817 169.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.13 85.17 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.111 0.956 . . . . 0.0 112.056 170.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.1 tp -59.62 -40.84 88.9 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.303 1.441 . . . . 0.0 111.477 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.38 -29.97 71.03 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.077 0.951 . . . . 0.0 113.492 172.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 tpt -74.22 -27.71 60.92 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.994 0.918 . . . . 0.0 112.922 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.9 mm -54.93 -40.67 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 123.777 0.831 . . . . 0.0 110.721 169.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' HA ' ' CZ ' ' D' ' 200' ' ' TYR . 9.8 m-30 -76.52 42.93 0.3 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.416 1.886 . . . . 0.0 113.616 -171.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -56.95 -13.62 2.84 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 128.816 2.847 . . . . 0.0 117.027 -169.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.92 -31.91 72.26 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 120.558 1.526 . . . . 0.0 111.096 169.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.39 53.46 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.1 mt -90.78 8.73 33.2 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.533 1.933 . . . . 0.0 112.286 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -146.17 -18.13 0.44 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.423 1.889 . . . . 0.0 114.133 175.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 C-N-CA 127.575 2.512 . . . . 0.0 113.394 169.786 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 119.175 -0.441 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.35 -53.52 47.32 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 116.204 1.927 . . . . 0.0 116.204 -170.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.6 p -54.98 -34.75 26.88 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -169.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -69.11 -33.57 18.77 Favored 'Trans proline' 0 C--N 1.356 0.944 0 CA-C-N 123.595 2.32 . . . . 0.0 113.202 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.55 -46.35 39.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.338 1.427 . . . . 0.0 110.521 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.32 -36.05 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.415 0.686 . . . . 0.0 112.406 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -74.76 -30.23 61.4 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.416 -0.802 . . . . 0.0 112.703 172.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -44.75 68.16 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.783 1.174 . . . . 0.0 112.172 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.86 -27.36 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 121.129 -0.982 . . . . 0.0 111.964 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.77 -35.36 79.85 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.526 1.06 . . . . 0.0 112.766 170.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -47.81 83.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.311 1.444 . . . . 0.0 110.758 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.87 -36.96 82.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.043 0.937 . . . . 0.0 112.07 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.56 -44.67 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.234 0.924 . . . . 0.0 110.925 170.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.64 -40.39 95.9 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.28 0.943 . . . . 0.0 113.323 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.76 -36.28 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 117.877 0.839 . . . . 0.0 111.477 172.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -80.62 -51.03 9.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.017 0.927 . . . . 0.0 112.801 -173.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.27 -25.87 63.55 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -55.17 -42.03 72.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.261 1.024 . . . . 0.0 111.518 169.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -82.3 -36.12 27.29 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.652 1.181 . . . . 0.0 113.701 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 96.6 p -66.48 -39.57 88.83 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.981 -1.074 . . . . 0.0 111.711 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.74 -19.77 73.54 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.944 1.259 . . . . 0.0 114.424 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -64.1 -44.37 92.49 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.975 1.387 . . . . 0.0 111.354 170.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -85.32 -16.95 38.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.795 1.238 . . . . 0.0 112.417 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.18 16.5 43.76 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.558 1.551 . . . . 0.0 113.649 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -87.0 142.56 27.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.948 1.299 . . . . 0.0 112.813 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -75.07 -35.17 61.86 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -171.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -163.69 19.6 0.07 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -174.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 64.9 p -126.61 153.23 45.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.175 1.39 . . . . 0.0 112.505 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.82 140.37 50.9 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.966 1.306 . . . . 0.0 108.534 169.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -78.11 162.3 26.76 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.799 -0.563 . . . . 0.0 109.696 169.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -56.89 -33.88 67.33 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.792 -1.193 . . . . 0.0 112.885 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -68.85 -41.87 77.89 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.695 1.198 . . . . 0.0 112.838 170.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -75.21 -26.34 58.9 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.128 -0.982 . . . . 0.0 111.884 -176.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.11 -45.94 86.41 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.086 0.954 . . . . 0.0 109.546 169.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -59.61 -40.92 89.12 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.181 -0.949 . . . . 0.0 111.534 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -57.35 -51.37 69.69 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.961 0.904 . . . . 0.0 111.775 171.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -53.27 -50.72 64.25 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.134 0.973 . . . . 0.0 111.211 175.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.11 -47.85 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 118.368 0.531 . . . . 0.0 111.456 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -75.94 -19.02 59.11 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.43 -51.2 6.06 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.006 1.276 . . . . 0.0 113.051 169.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.55 -43.44 13.51 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.464 0.575 . . . . 0.0 111.876 -169.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.2 mt -83.89 -36.88 23.05 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.576 0.626 . . . . 0.0 110.724 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 68.28 26.63 6.84 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.331 1.853 . . . . 0.0 111.191 171.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 tt -68.27 -23.66 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.242 1.817 . . . . 0.0 114.092 -170.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.05 16.7 1.07 Allowed Glycine 0 CA--C 1.539 1.542 0 C-N-CA 126.139 1.828 . . . . 0.0 115.133 175.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 62.8 p -66.25 -2.19 4.1 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.393 1.877 . . . . 0.0 115.532 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -153.79 28.45 0.48 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.914 1.286 . . . . 0.0 114.039 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 70.8 mt 66.47 38.6 4.19 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.534 1.934 . . . . 0.0 114.35 169.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -104.2 15.21 28.88 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 173.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.06 -28.44 64.55 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.678 -1.264 . . . . 0.0 113.54 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.48 -28.79 68.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.017 1.327 . . . . 0.0 112.878 171.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -80.31 -37.22 33.09 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.171 0.988 . . . . 0.0 110.477 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.08 -39.07 83.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.22 -0.925 . . . . 0.0 112.279 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.77 -27.6 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.183 0.901 . . . . 0.0 112.606 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -76.09 -35.69 59.25 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.078 0.854 . . . . 0.0 112.595 171.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.29 -39.66 95.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.901 0.773 . . . . 0.0 111.346 169.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -62.25 -38.94 91.2 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.468 1.107 . . . . 0.0 111.384 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.51 -39.48 94.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.173 0.989 . . . . 0.0 112.463 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -72.37 -20.34 61.47 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.984 1.265 . . . . 0.0 113.995 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.05 -46.14 17.08 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.691 1.197 . . . . 0.0 110.836 169.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.94 -35.47 75.01 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.347 1.059 . . . . 0.0 112.813 173.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -57.37 -27.54 62.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.05 2.14 . . . . 0.0 113.095 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -83.5 -7.14 59.59 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.119 0.968 . . . . 0.0 113.343 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -147.44 -135.72 0.08 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.825 1.65 . . . . 0.0 111.429 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -160.59 100.71 1.32 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.455 1.102 . . . . 0.0 110.175 176.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 74.04 -28.27 0.19 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 128.563 2.745 . . . . 0.0 112.91 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.65 144.22 50.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.636 1.974 . . . . 0.0 107.877 171.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 127.48 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 126.05 1.74 . . . . 0.0 107.794 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -78.99 158.03 28.01 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.08 0.552 . . . . 0.0 111.523 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -49.15 -44.54 42.79 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.154 1.382 . . . . 0.0 114.528 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -62.64 -43.32 99.1 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.632 -0.667 . . . . 0.0 111.657 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.87 -31.19 63.04 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.77 0.828 . . . . 0.0 111.877 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -60.57 -46.12 91.4 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 110.745 169.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.2 mt -69.2 -35.09 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.067 -1.021 . . . . 0.0 111.988 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 88.9 m -56.13 -44.6 79.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 110.526 173.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.01 -37.74 81.79 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 173.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.11 -20.6 59.02 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.738 1.153 . . . . 0.0 112.289 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.94 -39.54 93.32 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-N 119.892 1.224 . . . . 0.0 112.648 169.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.86 71.23 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.453 1.126 . . . . 0.0 112.157 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.4 -45.03 92.89 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.298 0.639 . . . . 0.0 111.368 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.83 74.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.411 1.084 . . . . 0.0 112.177 175.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.3 mtp -69.67 -20.85 63.57 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 172.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 tp -69.34 -26.74 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 120.01 1.277 . . . . 0.0 112.204 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -78.3 53.0 1.19 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.989 1.316 . . . . 0.0 111.24 169.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -53.42 -36.36 61.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.771 1.628 . . . . 0.0 114.567 -169.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -62.24 -30.88 71.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.653 0.781 . . . . 0.0 112.901 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.81 63.14 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.253 -0.904 . . . . 0.0 112.51 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.96 -42.58 63.22 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.275 1.03 . . . . 0.0 110.282 172.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -73.19 -35.71 66.42 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.466 0.707 . . . . 0.0 112.808 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.214 0 C-N-CA 125.979 1.752 . . . . 0.0 114.307 177.827 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -134.2 160.62 37.3 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.054 1.742 . . . . 0.0 111.574 -176.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 79.07 -178.15 53.78 Favored Glycine 0 N--CA 1.471 1.003 0 C-N-CA 125.034 1.302 . . . . 0.0 113.443 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.62 -34.34 72.65 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.991 -0.711 . . . . 0.0 112.747 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.4 -27.41 64.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.867 1.267 . . . . 0.0 112.59 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -63.76 -24.66 67.85 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.91 -36.36 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.028 1.731 . . . . 0.0 109.702 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.78 -28.86 66.1 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.569 1.548 . . . . 0.0 111.914 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -55.36 -27.22 45.9 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.946 -1.096 . . . . 0.0 113.115 172.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -71.96 -10.83 60.33 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.19 0.996 . . . . 0.0 113.538 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 21.8 mt -99.63 -25.26 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.506 2.322 . . . . 0.0 111.156 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -51.95 -42.83 63.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 172.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.46 -3.34 46.17 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.321 1.449 . . . . 0.0 114.0 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -101.36 -36.62 8.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.632 1.573 . . . . 0.0 111.695 174.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -85.87 16.15 43.61 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.499 1.523 . . . . 0.0 114.197 171.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.63 154.69 35.66 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.306 1.443 . . . . 0.0 114.012 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 21.0 t70 72.03 -31.66 0.23 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 129.336 3.054 . . . . 0.0 115.674 171.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -85.05 -22.0 29.18 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.993 1.27 . . . . 0.0 113.587 176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 40.6 tpp -60.35 -48.94 79.6 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.66 0.784 . . . . 0.0 111.65 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -62.27 -30.98 71.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.884 -1.135 . . . . 0.0 113.07 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -77.64 -24.05 49.56 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.261 1.024 . . . . 0.0 111.641 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 54.1 m -78.25 -52.89 7.98 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.569 1.948 . . . . 0.0 110.79 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.21 -35.76 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.2 -178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -55.27 -58.97 5.52 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.236 0.925 . . . . 0.0 112.018 173.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.72 -38.45 91.14 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.966 -1.084 . . . . 0.0 112.794 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.84 -38.08 84.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.663 0.785 . . . . 0.0 112.839 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . 0.464 ' HA ' ' HE2' ' A' ' 18' ' ' LYS . 4.5 t-105 -71.47 -38.54 71.23 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.695 -0.628 . . . . 0.0 111.741 177.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 45.2 t -71.15 -30.88 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 124.85 1.26 . . . . 0.0 114.071 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -2.47 8.49 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -169.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 5.5 p -87.44 -9.8 53.67 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 119.786 -1.821 . . . . 0.0 114.134 172.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.184 0 C-N-CA 125.792 1.637 . . . . 0.0 112.174 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -72.49 154.29 40.92 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.127 0.971 . . . . 0.0 111.783 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . 104.66 -148.29 16.62 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.633 1.587 . . . . 0.0 112.583 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.02 -32.08 63.68 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 11.3 mmt -53.1 -33.81 53.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.418 1.087 . . . . 0.0 112.56 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.11 -19.18 64.81 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 91.7 t -97.0 -40.35 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.153 1.381 . . . . 0.0 108.553 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.95 -34.86 78.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.895 1.678 . . . . 0.0 112.035 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.01 -29.42 70.26 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.329 -0.857 . . . . 0.0 112.836 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -65.78 -26.82 67.88 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.647 -1.283 . . . . 0.0 112.427 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 9.8 mm -79.0 -39.64 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.888 1.275 . . . . 0.0 110.837 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 84' ' ' TYR . 1.9 t80 -58.52 -36.78 74.36 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.289 -0.882 . . . . 0.0 112.731 173.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.13 -3.02 4.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.03 1.332 . . . . 0.0 114.556 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -108.51 -47.65 3.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.524 1.53 . . . . 0.0 110.401 168.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 64.43 -156.4 45.71 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.514 1.53 . . . . 0.0 116.413 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -159.16 145.6 16.73 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.359 1.864 . . . . 0.0 111.234 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.7 -41.64 21.03 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -73.49 -25.77 60.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -53.46 -56.51 16.32 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.328 1.051 . . . . 0.0 109.865 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -63.99 -25.72 68.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.83 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -69.43 -37.51 77.43 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.708 1.595 . . . . 0.0 111.813 171.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 96.9 m -68.97 -42.85 76.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.306 1.442 . . . . 0.0 111.45 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.21 -51.11 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.094 0.558 . . . . 0.0 110.927 170.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -56.8 -50.12 73.32 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.672 0.669 . . . . 0.0 112.112 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -64.18 -35.24 80.16 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.18 89.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.309 0.958 . . . . 0.0 112.427 172.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -68.4 -36.22 78.81 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.452 -0.78 . . . . 0.0 111.879 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.32 -36.25 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.322 1.049 . . . . 0.0 111.861 171.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.49 -32.25 69.69 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.367 1.067 . . . . 0.0 111.819 174.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 8.3 t -77.77 -10.35 59.5 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.155 1.382 . . . . 0.0 114.358 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.804 1.642 . . . . 0.0 113.499 -174.084 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 119.868 -0.111 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.88 -43.46 0.56 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.24 3.016 . . . . 0.0 114.703 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -59.22 -29.98 6.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -66.76 -36.56 23.82 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.234 1.956 . . . . 0.0 112.62 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -78.17 -40.13 38.74 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.759 0.709 . . . . 0.0 110.967 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -55.09 -42.96 73.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.193 1.397 . . . . 0.0 112.531 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.49 -22.1 60.24 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.09 -47.69 14.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.809 0.844 . . . . 0.0 112.187 174.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.4 pt -63.61 -33.65 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 O-C-N 121.146 -0.971 . . . . 0.0 110.992 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.22 -24.07 71.81 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.693 1.14 . . . . 0.0 113.729 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -49.6 58.0 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.868 1.334 . . . . 0.0 110.058 174.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.2 -39.94 84.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.369 1.068 . . . . 0.0 111.379 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.93 -48.37 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.066 0.848 . . . . 0.0 110.873 171.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.91 -24.84 73.12 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.478 1.037 . . . . 0.0 113.703 -176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.21 -47.43 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.079 1.352 . . . . 0.0 111.362 169.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.08 -55.93 5.82 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -69.81 -23.91 63.39 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -169.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -50.2 -44.6 53.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.94 1.296 . . . . 0.0 111.711 169.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -80.91 -30.81 35.35 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.684 1.194 . . . . 0.0 113.027 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -64.52 -31.92 73.34 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.353 -0.842 . . . . 0.0 112.868 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.34 -9.28 79.79 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.98 1.276 . . . . 0.0 113.964 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -71.47 -38.93 71.21 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.085 1.443 . . . . 0.0 112.86 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -156.36 154.68 30.93 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.216 1.406 . . . . 0.0 111.176 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.9 -151.56 35.64 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 123.833 0.73 . . . . 0.0 112.898 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -143.7 157.43 44.4 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.52 1.528 . . . . 0.0 111.893 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt 75.29 163.15 0.26 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.621 2.368 . . . . 0.0 113.423 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.28 61.24 2.11 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.044 1.737 . . . . 0.0 113.536 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -131.96 157.93 42.76 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.503 1.921 . . . . 0.0 111.209 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 99.0 mt -126.69 133.37 50.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 126.325 1.85 . . . . 0.0 108.327 170.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.2 p -79.2 175.15 10.85 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.61 -0.681 . . . . 0.0 112.666 176.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -31.68 63.54 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 175.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -80.6 -46.35 15.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.387 -0.821 . . . . 0.0 111.39 169.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -65.69 -30.4 71.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.807 0.731 . . . . 0.0 112.956 -174.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -50.25 69.85 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.562 -0.711 . . . . 0.0 110.46 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -63.25 -30.11 71.31 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.217 -0.927 . . . . 0.0 112.692 175.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -62.66 -49.27 75.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.942 0.897 . . . . 0.0 110.57 173.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.35 -52.99 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.718 0.807 . . . . 0.0 110.796 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.76 -49.02 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.899 0.772 . . . . 0.0 111.625 -175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.25 -27.59 64.57 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.477 1.035 . . . . 0.0 112.766 -175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -87.16 -38.85 16.05 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -87.62 -51.86 5.66 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.804 0.842 . . . . 0.0 111.851 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.83 68.96 10.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.497 1.119 . . . . 0.0 109.086 -175.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 p -76.06 73.48 2.92 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.099 1.76 . . . . 0.0 112.098 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.7 pt -71.59 5.27 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 126.735 2.014 . . . . 0.0 114.235 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.92 158.83 24.46 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 126.242 1.877 . . . . 0.0 112.617 -175.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 t -79.96 102.9 9.49 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.126 -0.632 . . . . 0.0 110.511 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -160.7 143.23 12.85 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.616 1.567 . . . . 0.0 111.381 -174.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.7 tp -79.29 110.01 14.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.62 0.768 . . . . 0.0 111.251 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -155.23 21.9 0.42 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.803 1.241 . . . . 0.0 112.904 174.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.88 -26.55 64.36 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 120.62 -1.3 . . . . 0.0 113.151 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -27.94 68.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.4 1.08 . . . . 0.0 113.268 170.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -80.79 -41.35 23.52 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.351 1.061 . . . . 0.0 110.318 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.3 mm -70.02 -33.5 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.84 -177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.96 -29.93 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 119.962 1.255 . . . . 0.0 112.089 171.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -76.19 -36.28 58.72 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.438 1.017 . . . . 0.0 111.88 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.14 -42.79 99.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.713 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -60.8 -37.9 83.52 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.033 0.933 . . . . 0.0 111.672 172.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.59 -31.85 70.25 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.515 1.126 . . . . 0.0 113.207 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -74.09 -26.26 60.27 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.181 -0.95 . . . . 0.0 112.673 171.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.92 -56.43 5.72 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 110.105 169.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -66.23 -18.23 65.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.215 2.206 . . . . 0.0 114.375 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.67 -22.13 4.79 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.429 1.492 . . . . 0.0 112.459 169.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.77 -8.2 59.11 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 175.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -144.8 -98.63 0.1 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 120.398 1.454 . . . . 0.0 114.058 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -161.71 -55.64 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.959 1.254 . . . . 0.0 113.78 -169.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -157.05 27.75 0.31 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.005 1.722 . . . . 0.0 111.685 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.64 169.01 20.81 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.263 1.825 . . . . 0.0 111.814 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.63 122.84 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.585 1.154 . . . . 0.0 110.281 169.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.38 163.05 20.83 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.513 173.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -54.15 -44.93 71.86 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -169.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -63.07 -45.34 92.63 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.699 0.681 . . . . 0.0 110.665 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -71.75 -34.89 69.87 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.89 1.276 . . . . 0.0 111.404 -173.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.21 -39.43 82.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.795 0.838 . . . . 0.0 111.174 169.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 mt -74.57 -36.52 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.15 -0.968 . . . . 0.0 112.326 175.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -54.21 -42.34 69.66 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.942 1.246 . . . . 0.0 111.443 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -69.32 -39.32 78.3 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.57 -20.65 64.91 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 172.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.08 96.32 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 119.479 1.036 . . . . 0.0 111.927 169.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.67 -36.66 65.36 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 117.982 0.891 . . . . 0.0 112.382 171.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.01 -35.43 79.91 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.496 0.589 . . . . 0.0 111.657 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.25 76.72 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.509 0.724 . . . . 0.0 110.688 169.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.2 ttt -60.61 -29.71 69.39 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.109 1.364 . . . . 0.0 114.02 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 tp -59.4 -31.55 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 119.12 0.873 . . . . 0.0 112.527 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -77.1 54.3 1.04 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.063 1.345 . . . . 0.0 111.695 169.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -52.5 -26.57 13.38 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -173.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -79.64 -18.07 52.31 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.073 1.306 . . . . 0.0 113.688 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -40.82 64.44 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.558 1.143 . . . . 0.0 109.347 169.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.72 -28.8 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.171 1.388 . . . . 0.0 112.273 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -65.21 -34.81 79.25 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.887 0.875 . . . . 0.0 112.597 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.895 1.712 . . . . 0.0 111.969 -177.31 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 119.31 -0.376 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.71 -22.78 37.17 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -57.17 -34.19 24.24 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 116.199 1.926 . . . . 0.0 116.199 -174.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -63.55 -36.58 52.88 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.317 2.678 . . . . 0.0 113.01 171.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.41 -40.22 44.33 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.95 0.796 . . . . 0.0 111.191 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -59.9 -39.9 86.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.948 0.899 . . . . 0.0 112.232 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -73.93 -22.3 59.72 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 173.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.17 -49.83 13.09 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.781 1.173 . . . . 0.0 112.298 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.38 -32.21 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.126 0.876 . . . . 0.0 111.294 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.32 -22.81 74.85 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.198 1.38 . . . . 0.0 113.903 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -48.01 61.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.166 1.483 . . . . 0.0 109.847 175.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.89 -39.85 90.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.956 0.902 . . . . 0.0 111.416 175.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.67 -44.8 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.61 0.641 . . . . 0.0 110.769 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.95 -28.48 73.81 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.355 0.978 . . . . 0.0 113.775 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.3 mt -79.23 -48.46 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.634 1.174 . . . . 0.0 112.004 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -77.53 -52.27 9.33 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.975 0.91 . . . . 0.0 113.004 -170.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.99 -19.38 60.67 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.662 -0.649 . . . . 0.0 112.666 -172.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.12 -41.17 96.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.76 0.824 . . . . 0.0 109.781 168.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -34.13 35.67 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -174.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.7 p -67.38 -5.64 15.46 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.6 -7.34 84.59 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 118.835 -0.981 . . . . 0.0 114.59 170.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -77.38 -42.8 35.04 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.481 1.641 . . . . 0.0 112.449 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -138.86 -28.98 0.79 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.017 1.327 . . . . 0.0 113.511 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.92 -156.19 9.61 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.958 1.266 . . . . 0.0 113.41 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.83 -51.62 0.05 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.701 1.2 . . . . 0.0 112.343 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -86.81 -162.64 0.8 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 124.316 1.046 . . . . 0.0 112.032 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -73.88 50.52 0.36 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.31 1.844 . . . . 0.0 113.571 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t -150.6 152.97 34.87 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.684 1.594 . . . . 0.0 111.093 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -121.29 143.77 48.99 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.801 1.641 . . . . 0.0 109.9 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.0 m -77.2 154.74 32.78 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 120.624 -1.297 . . . . 0.0 109.314 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -56.14 -40.28 73.55 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.083 -1.636 . . . . 0.0 113.953 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -78.44 -22.52 47.52 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -68.49 -43.49 76.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.018 1.327 . . . . 0.0 109.801 171.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.408 ' C ' HD13 ' B' ' 34' ' ' LEU . 1.9 tm? -62.01 -44.89 95.76 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.249 1.42 . . . . 0.0 111.313 169.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -55.93 -40.23 72.82 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.169 -0.957 . . . . 0.0 111.347 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.09 -43.68 81.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 117.96 -1.019 . . . . 0.0 112.162 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.81 -52.53 40.32 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.929 1.24 . . . . 0.0 110.582 173.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 65.3 mt -63.86 -46.88 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-O 118.6 -0.714 . . . . 0.0 111.599 -175.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -78.17 -11.17 59.9 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -88.79 -53.56 4.56 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.356 0.98 . . . . 0.0 112.171 169.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -88.68 -40.4 13.31 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.423 1.489 . . . . 0.0 114.109 -169.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.23 23.49 11.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.901 1.68 . . . . 0.0 112.367 -169.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -43.12 126.28 3.93 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 128.499 2.72 . . . . 0.0 113.68 -169.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 pt -98.36 166.22 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.883 1.273 . . . . 0.0 111.323 170.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.49 158.57 35.52 Favored Glycine 0 N--CA 1.473 1.146 0 C-N-CA 124.544 1.068 . . . . 0.0 114.605 -170.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -78.45 22.11 0.35 Allowed 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -172.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -73.5 -176.84 2.43 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.44 1.896 . . . . 0.0 112.471 169.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 47.2 tp -71.18 102.97 2.65 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.924 0.889 . . . . 0.0 109.029 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.1 -13.68 0.22 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.94 1.296 . . . . 0.0 114.447 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -61.32 -35.81 78.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.612 -1.305 . . . . 0.0 112.204 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.74 69.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.084 1.353 . . . . 0.0 113.382 171.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -81.73 -38.57 25.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.791 0.836 . . . . 0.0 110.907 171.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 16.6 mm -61.81 -41.77 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 111.66 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.62 -25.84 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.905 1.23 . . . . 0.0 112.296 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -78.2 -32.21 49.89 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.433 1.015 . . . . 0.0 112.968 170.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.41 -40.73 85.6 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.867 -1.146 . . . . 0.0 111.593 170.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.68 -42.85 97.92 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.641 1.576 . . . . 0.0 111.254 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -60.15 -43.02 96.06 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.957 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.8 -45.3 93.27 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.968 1.258 . . . . 0.0 112.168 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.31 -41.97 97.87 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.139 1.375 . . . . 0.0 112.352 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.25 -41.12 90.43 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.161 1.384 . . . . 0.0 112.807 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -70.39 -20.98 62.9 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.393 1.877 . . . . 0.0 112.737 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.14 -28.91 64.62 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.509 0.724 . . . . 0.0 112.031 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -107.03 -129.36 0.28 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.94 1.696 . . . . 0.0 109.925 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.13 -17.97 0.57 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -174.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -172.8 -32.61 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.198 1.399 . . . . 0.0 112.067 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.15 141.63 51.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.096 1.759 . . . . 0.0 106.51 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.7 t -84.27 102.42 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.448 1.899 . . . . 0.0 108.854 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -78.29 149.55 33.51 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.513 0.725 . . . . 0.0 111.759 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -53.52 -40.55 65.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.273 1.429 . . . . 0.0 114.777 -175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -71.49 -35.46 70.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.849 1.204 . . . . 0.0 111.999 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.56 -34.79 67.75 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.942 0.897 . . . . 0.0 111.791 175.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.79 -45.41 93.97 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.856 1.263 . . . . 0.0 111.404 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.4 mt -68.47 -38.21 78.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-O 118.672 -0.68 . . . . 0.0 111.495 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 67.5 m -58.73 -45.4 89.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.255 0.934 . . . . 0.0 111.0 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.08 -42.27 99.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.67 0.788 . . . . 0.0 111.96 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.81 -23.15 67.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.258 0.935 . . . . 0.0 112.89 173.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.93 -37.6 64.94 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 119.434 1.015 . . . . 0.0 112.701 170.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.43 71.41 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.134 0.967 . . . . 0.0 112.204 170.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 tp -65.52 -41.73 92.83 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.77 0.828 . . . . 0.0 110.642 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.7 -34.77 71.68 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.327 1.051 . . . . 0.0 112.048 171.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 37.2 ttm -72.81 -31.8 65.08 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.513 1.125 . . . . 0.0 113.136 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 3.1 tp -61.97 -28.39 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -174.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -62.84 -17.14 60.98 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 67.63 -59.8 0.4 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 129.238 3.015 . . . . 0.0 114.698 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.99 -33.8 76.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.704 1.202 . . . . 0.0 111.673 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.49 72.59 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.028 0.931 . . . . 0.0 113.008 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.99 15.62 18.34 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.818 1.647 . . . . 0.0 112.376 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -121.3 -39.74 2.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.798 1.239 . . . . 0.0 112.948 170.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.273 0 C-N-CA 125.411 1.482 . . . . 0.0 113.578 -178.763 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -99.59 0.28 41.84 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.427 1.091 . . . . 0.0 113.854 -169.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -63.15 -21.67 64.21 Favored Glycine 0 N--CA 1.474 1.193 0 C-N-CA 124.481 1.038 . . . . 0.0 113.861 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.99 -65.24 0.72 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.033 1.333 . . . . 0.0 109.019 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -53.52 -32.16 49.32 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.923 1.289 . . . . 0.0 112.215 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -61.07 -20.49 62.65 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 174.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 70.4 t -96.75 -35.54 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 120.18 1.354 . . . . 0.0 109.59 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.18 -31.86 66.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.277 1.831 . . . . 0.0 112.257 174.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.54 -28.57 68.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.324 1.049 . . . . 0.0 112.86 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -64.78 -21.74 66.84 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.541 1.136 . . . . 0.0 112.937 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.96 -48.04 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.068 1.347 . . . . 0.0 110.581 170.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -51.41 -41.46 60.76 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.694 1.198 . . . . 0.0 113.799 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -81.74 -2.75 51.73 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.814 1.246 . . . . 0.0 113.606 -175.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -110.87 -38.46 5.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 113.387 172.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . -68.28 151.41 51.77 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.827 1.203 . . . . 0.0 114.08 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -71.83 154.53 41.21 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.018 1.327 . . . . 0.0 113.366 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -79.33 36.41 0.3 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.931 2.092 . . . . 0.0 113.41 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -71.92 -34.27 68.94 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 120.731 -1.23 . . . . 0.0 113.387 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 54.6 ttm -62.89 -47.0 85.2 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.697 0.68 . . . . 0.0 110.55 -174.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -11.3 32.94 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 175.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -89.77 -44.04 10.26 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.391 0.996 . . . . 0.0 111.185 169.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.5 m -69.7 -37.92 76.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.502 1.521 . . . . 0.0 112.99 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.33 -39.72 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.824 0.849 . . . . 0.0 111.773 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.06 -48.81 78.99 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.944 0.793 . . . . 0.0 111.362 173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.05 -49.4 78.04 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.328 -0.857 . . . . 0.0 111.656 175.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.24 -26.85 68.98 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.239 1.199 . . . . 0.0 114.239 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -79.79 -43.1 23.08 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.799 0.84 . . . . 0.0 111.686 172.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 42.4 t -73.55 -30.49 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.981 0.912 . . . . 0.0 113.149 -173.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.14 -2.31 12.63 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 5.0 m -68.78 -13.69 62.56 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.469 1.108 . . . . 0.0 113.437 172.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.612 1.965 . . . . 0.0 113.803 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 111.555 0.205 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -158.63 142.66 15.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.255 1.422 . . . . 0.0 110.304 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -80.54 142.3 23.64 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.232 0.92 . . . . 0.0 112.339 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.83 -25.55 63.31 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.293 1.037 . . . . 0.0 113.768 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -51.41 -29.35 15.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.305 1.442 . . . . 0.0 112.883 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -66.84 -15.83 63.88 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.57 -37.83 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.459 1.904 . . . . 0.0 110.346 173.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.2 mp -66.85 -25.85 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.554 1.142 . . . . 0.0 111.937 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -57.73 -27.21 62.79 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.311 -0.868 . . . . 0.0 112.746 170.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -70.85 -16.1 62.68 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.07 0.948 . . . . 0.0 112.699 175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 34.1 mm -93.86 -41.74 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.375 1.47 . . . . 0.0 110.48 169.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -50.7 -42.97 57.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.07 0.948 . . . . 0.0 113.234 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.25 -4.47 22.0 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -79.45 -20.0 48.51 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.034 0.934 . . . . 0.0 112.514 170.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 98.88 -171.34 24.71 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.904 1.716 . . . . 0.0 114.542 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -164.32 164.8 22.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.513 2.325 . . . . 0.0 110.593 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -154.25 -38.62 0.09 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -74.13 -19.45 60.57 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 22.5 mmt -54.02 -50.46 66.59 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.376 1.07 . . . . 0.0 111.217 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -65.39 -26.54 68.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.863 0.865 . . . . 0.0 113.247 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -83.38 -27.02 29.94 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.797 1.239 . . . . 0.0 112.282 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 30.3 m -91.82 -48.27 6.88 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.068 1.347 . . . . 0.0 111.512 -177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 88.8 mt -75.2 -46.7 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.735 0.814 . . . . 0.0 111.439 -169.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -59.53 -41.18 89.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.671 1.123 . . . . 0.0 111.679 174.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.7 -53.99 51.31 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.444 0.698 . . . . 0.0 111.379 173.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.01 -30.76 69.37 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -83.02 -30.82 27.81 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.855 1.262 . . . . 0.0 113.224 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 75.7 t -96.45 -16.97 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.861 1.264 . . . . 0.0 113.422 -173.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.65 -6.17 49.1 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 44.3 p -81.95 -5.36 58.24 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -171.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? . . . . . 0 C--O 1.252 1.208 0 C-N-CA 125.333 1.453 . . . . 0.0 112.694 -171.629 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.0 mmm . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.43 16.7 0.21 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.861 1.264 . . . . 0.0 113.555 -169.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 p -38.21 -49.92 3.33 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -169.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.96 -36.24 31.41 Favored 'Trans proline' 0 C--N 1.355 0.88 0 CA-C-N 122.617 1.97 . . . . 0.0 112.729 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.09 -39.49 25.6 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.436 1.016 . . . . 0.0 111.96 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.39 -38.05 82.72 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.891 1.276 . . . . 0.0 112.203 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -73.84 -23.9 59.69 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 173.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.42 -48.75 12.41 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.685 1.13 . . . . 0.0 112.622 175.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.9 pt -63.02 -35.27 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 120.87 -1.144 . . . . 0.0 110.586 172.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -27.31 71.28 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 124.818 1.199 . . . . 0.0 113.113 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.32 -49.75 58.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.674 1.737 . . . . 0.0 110.15 173.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.63 -43.37 89.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.403 0.681 . . . . 0.0 110.917 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -66.65 -41.98 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 118.883 0.765 . . . . 0.0 110.934 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.49 -44.63 89.71 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.511 1.053 . . . . 0.0 112.626 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mt -66.19 -35.13 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.214 1.007 . . . . 0.0 111.905 173.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -65.87 -53.55 38.24 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.33 0.968 . . . . 0.0 111.154 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.27 -26.86 64.97 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -51.85 -48.59 63.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.775 1.23 . . . . 0.0 111.537 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.484 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 50.8 m-85 -81.84 -36.42 28.29 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p -67.39 -30.87 70.76 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 121.098 1.772 . . . . 0.0 112.742 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 -8.75 59.41 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.764 1.173 . . . . 0.0 114.811 177.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' A' ' 19' ' ' TYR . 39.6 mttm -62.31 -52.8 62.24 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.037 1.419 . . . . 0.0 112.241 171.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -89.54 -7.1 55.63 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.318 0.647 . . . . 0.0 112.513 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.47 18.16 36.76 Favored Glycine 0 C--N 1.344 0.994 0 C-N-CA 124.913 1.244 . . . . 0.0 114.208 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.64 178.61 7.61 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.501 1.121 . . . . 0.0 111.777 174.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -121.01 -105.03 0.39 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.307 1.443 . . . . 0.0 111.778 -172.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.83 17.85 0.88 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -169.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -155.74 147.46 23.07 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.465 1.506 . . . . 0.0 111.896 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.6 154.35 35.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.986 1.714 . . . . 0.0 110.527 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -79.62 158.01 27.16 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.298 -0.876 . . . . 0.0 110.385 168.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -55.77 -39.53 71.35 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.506 -1.371 . . . . 0.0 113.69 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -31.0 63.38 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.035 -1.041 . . . . 0.0 113.784 176.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.75 -38.5 73.5 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.451 1.1 . . . . 0.0 110.413 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.4 -43.08 91.76 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.338 1.055 . . . . 0.0 110.395 169.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -57.61 -37.64 73.59 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.044 -1.035 . . . . 0.0 111.619 174.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.09 -40.3 90.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.723 0.809 . . . . 0.0 112.173 175.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -54.67 -51.23 66.13 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.486 1.039 . . . . 0.0 110.403 169.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.62 -50.81 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.587 0.631 . . . . 0.0 111.013 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -64.02 -28.39 69.77 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -86.68 -45.4 11.02 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 176.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.43 -43.16 12.29 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.822 0.849 . . . . 0.0 112.936 -175.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -112.88 45.07 1.39 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.842 2.457 . . . . 0.0 110.014 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 m -45.57 112.89 0.51 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.494 2.317 . . . . 0.0 113.631 -169.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 pp -80.51 73.76 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.358 1.063 . . . . 0.0 110.667 170.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.08 -9.93 49.71 Favored Glycine 0 N--CA 1.476 1.338 0 C-N-CA 124.672 1.129 . . . . 0.0 115.108 -175.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 p -74.8 -16.88 60.69 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.804 1.642 . . . . 0.0 112.835 169.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt 71.39 -46.94 0.65 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 129.783 3.233 . . . . 0.0 113.808 175.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.91 -30.34 71.44 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.294 1.438 . . . . 0.0 112.848 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -74.67 -3.22 30.04 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.43 -25.21 61.95 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.915 -1.116 . . . . 0.0 112.499 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.41 71.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.894 1.278 . . . . 0.0 113.188 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.99 -33.19 33.92 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.475 0.58 . . . . 0.0 110.739 169.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.8 mm -63.42 -40.78 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.286 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -27.82 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.642 1.565 . . . . 0.0 112.984 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -75.19 -40.33 59.4 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.996 0.817 . . . . 0.0 112.55 170.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.86 -34.0 77.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.858 0.863 . . . . 0.0 111.888 174.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.8 ttp -60.58 -39.18 87.08 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.089 1.356 . . . . 0.0 110.992 169.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.41 -36.85 83.87 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.337 0.971 . . . . 0.0 113.04 171.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -66.73 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.706 1.139 . . . . 0.0 112.657 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.33 -44.64 19.16 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.893 1.677 . . . . 0.0 112.416 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.09 -15.12 63.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.493 1.917 . . . . 0.0 113.238 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.66 -18.04 4.09 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.754 1.622 . . . . 0.0 113.817 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.12 -33.15 73.92 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 174.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -148.04 -19.55 0.35 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -170.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t0 66.75 50.38 1.15 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.311 1.844 . . . . 0.0 111.802 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 176.39 -41.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.261 2.624 . . . . 0.0 111.849 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -145.35 154.16 42.01 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.442 1.497 . . . . 0.0 111.232 -170.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.6 t -111.71 105.1 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 127.513 2.325 . . . . 0.0 108.649 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -82.45 151.89 26.35 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 112.276 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -52.85 -40.13 63.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.396 1.478 . . . . 0.0 114.687 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -66.13 -39.2 89.69 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.66 -0.65 . . . . 0.0 112.002 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.93 -40.38 75.55 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.844 0.458 . . . . 0.0 111.093 173.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -57.73 -46.13 84.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.201 1.0 . . . . 0.0 113.132 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 50.2 mm -67.75 -43.76 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 120.033 1.288 . . . . 0.0 111.206 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.5 m -57.15 -44.19 83.2 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.161 0.985 . . . . 0.0 110.853 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -68.82 -40.84 79.3 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.528 1.531 . . . . 0.0 112.344 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.56 -26.12 68.27 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.601 1.091 . . . . 0.0 111.88 172.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.08 -38.13 93.72 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 118.99 0.814 . . . . 0.0 112.565 169.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.0 74.07 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.989 0.895 . . . . 0.0 111.778 170.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.21 -43.08 87.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.133 -0.979 . . . . 0.0 111.007 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.74 99.3 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.579 1.152 . . . . 0.0 112.686 173.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 ptm -71.75 -24.26 61.74 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.621 1.101 . . . . 0.0 113.404 178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.41 -27.74 43.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.922 0.889 . . . . 0.0 111.818 170.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -77.01 54.16 1.01 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 122.454 1.121 . . . . 0.0 110.657 168.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -44.57 -36.05 2.84 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.742 2.817 . . . . 0.0 115.739 -169.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.27 -25.78 66.23 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.819 0.736 . . . . 0.0 112.532 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.08 -20.08 63.23 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.714 0.806 . . . . 0.0 112.667 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.5 -4.75 33.69 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.041 1.736 . . . . 0.0 112.467 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -87.69 -48.29 7.99 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.46 1.104 . . . . 0.0 109.824 169.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.406 0 C-N-CA 126.514 2.007 . . . . 0.0 115.189 175.46 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.428 0.156 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.3 21.67 0.08 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 127.717 2.407 . . . . 0.0 112.127 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.7 p -44.71 -42.07 13.68 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.45 -38.6 14.36 Favored 'Trans proline' 0 C--N 1.356 0.943 0 CA-C-N 123.307 2.217 . . . . 0.0 113.132 -171.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 tp -82.25 -39.99 22.23 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.06 0.845 . . . . 0.0 112.183 170.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -59.39 -39.19 82.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.68 0.673 . . . . 0.0 112.513 -177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -64.27 -30.83 71.87 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.7 0.682 . . . . 0.0 112.287 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.28 -49.1 12.03 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.906 0.882 . . . . 0.0 112.451 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.64 -30.86 50.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.087 0.858 . . . . 0.0 111.517 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.76 -35.35 90.84 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.479 1.514 . . . . 0.0 112.983 172.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.27 78.09 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.714 1.206 . . . . 0.0 110.563 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.86 -40.52 80.38 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.998 0.919 . . . . 0.0 111.654 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -46.0 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.703 1.138 . . . . 0.0 111.548 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.76 -36.68 92.58 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 123.829 0.728 . . . . 0.0 114.131 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mt -67.54 -44.0 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 118.921 1.361 . . . . 0.0 111.505 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -74.06 -54.99 6.66 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.387 0.994 . . . . 0.0 113.589 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -68.15 -24.41 64.99 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -46.68 -47.52 20.31 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.714 1.205 . . . . 0.0 112.37 169.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -82.62 -34.36 27.6 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.998 1.319 . . . . 0.0 113.487 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.6 m -61.52 -43.07 99.53 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.884 -1.135 . . . . 0.0 112.297 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.29 -16.62 67.27 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.492 1.044 . . . . 0.0 113.527 177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.45 -34.47 65.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.204 1.002 . . . . 0.0 112.172 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -77.18 -40.31 45.76 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.342 0.657 . . . . 0.0 110.452 169.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.03 -18.14 33.21 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 126.507 2.004 . . . . 0.0 116.657 169.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.71 -44.02 19.39 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.132 1.466 . . . . 0.0 113.356 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -150.05 166.77 28.73 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.978 1.711 . . . . 0.0 112.109 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -74.43 58.03 0.73 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.229 1.812 . . . . 0.0 113.233 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -136.78 165.17 26.55 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.22 2.208 . . . . 0.0 110.677 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 87.7 mt -129.07 122.23 29.53 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.975 1.31 . . . . 0.0 109.971 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t -78.28 169.12 18.78 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.827 0.822 . . . . 0.0 110.653 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -53.02 -47.79 68.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.146 1.378 . . . . 0.0 114.598 -169.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -69.92 -32.0 70.06 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.18 -39.39 63.22 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.806 1.242 . . . . 0.0 111.457 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.64 -47.58 84.73 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.391 1.076 . . . . 0.0 110.499 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -57.76 -37.82 74.33 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.704 0.684 . . . . 0.0 112.406 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -64.69 -39.78 94.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.645 0.657 . . . . 0.0 112.428 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.04 -56.25 24.7 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.771 0.828 . . . . 0.0 110.291 169.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -63.92 -45.88 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 118.133 0.424 . . . . 0.0 111.125 -172.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.94 -20.3 59.74 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.838 0.744 . . . . 0.0 112.821 -175.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -86.17 -51.71 6.12 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.567 1.076 . . . . 0.0 113.398 169.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.74 -34.53 21.18 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.098 0.959 . . . . 0.0 112.279 -169.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 18.3 mt -117.84 45.11 2.03 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.795 2.038 . . . . 0.0 109.829 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.8 t -43.84 129.88 5.69 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.638 1.975 . . . . 0.0 114.755 -169.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 23.8 pt -92.15 1.02 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 127.837 2.455 . . . . 0.0 112.674 175.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.03 -44.54 2.37 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.757 1.646 . . . . 0.0 114.025 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.1 m -140.15 154.03 46.85 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.057 1.343 . . . . 0.0 112.89 -175.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -73.83 68.59 1.31 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.829 1.651 . . . . 0.0 111.309 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 55.3 tp -140.64 -39.57 0.42 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.51 1.524 . . . . 0.0 113.982 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -79.65 -1.8 39.85 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.098 0.959 . . . . 0.0 112.537 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.36 -39.0 45.18 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.333 1.853 . . . . 0.0 113.905 -174.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.26 69.37 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.83 0.852 . . . . 0.0 113.179 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -81.35 -39.84 24.45 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.811 0.845 . . . . 0.0 110.698 169.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 mm -63.0 -39.86 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.496 0.718 . . . . 0.0 112.082 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.92 -31.62 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.611 1.096 . . . . 0.0 112.435 175.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -78.47 -28.65 46.53 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.014 0.825 . . . . 0.0 112.557 173.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.91 -42.07 86.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.988 0.915 . . . . 0.0 109.838 168.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -63.07 -36.95 85.31 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.916 1.286 . . . . 0.0 111.19 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.13 -20.2 61.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.748 1.219 . . . . 0.0 113.515 172.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -80.63 -39.98 26.43 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 120.111 1.323 . . . . 0.0 111.027 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.46 -38.57 77.82 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.219 1.408 . . . . 0.0 111.103 169.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.69 -31.44 69.58 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.037 1.335 . . . . 0.0 113.309 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 -71.55 -14.39 62.08 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.355 -0.841 . . . . 0.0 113.002 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -84.58 -27.96 26.9 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.409 1.004 . . . . 0.0 111.965 169.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -161.48 124.95 3.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.18 1.392 . . . . 0.0 112.952 169.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.49 131.6 51.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.607 1.563 . . . . 0.0 113.1 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.46 -63.51 0.3 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 128.237 2.615 . . . . 0.0 110.022 176.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.71 134.98 47.37 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.068 2.147 . . . . 0.0 109.934 -171.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.16 115.28 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.121 0.968 . . . . 0.0 111.855 -169.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -80.04 161.38 25.43 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.708 1.603 . . . . 0.0 112.061 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -49.57 -58.3 5.48 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -29.41 68.29 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.042 -1.036 . . . . 0.0 111.861 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -73.73 -32.88 64.09 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.39 2.276 . . . . 0.0 111.257 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -69.84 -40.24 75.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.167 1.387 . . . . 0.0 111.426 169.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.92 -32.24 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 120.789 -1.194 . . . . 0.0 111.589 173.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.0 m -59.74 -40.19 87.25 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.766 0.827 . . . . 0.0 111.131 172.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.75 -38.82 87.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.786 -0.626 . . . . 0.0 112.46 171.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -25.7 67.95 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.647 1.112 . . . . 0.0 112.067 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.54 -45.31 86.21 Favored Glycine 0 N--CA 1.468 0.807 0 C-N-CA 124.12 0.867 . . . . 0.0 111.995 169.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.05 99.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.229 1.014 . . . . 0.0 112.059 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.54 -38.93 92.99 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.165 -0.96 . . . . 0.0 111.7 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.67 76.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.06 0.944 . . . . 0.0 112.984 171.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.7 mtp -71.37 -27.85 63.63 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 169.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.74 -37.26 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.364 1.066 . . . . 0.0 110.797 169.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -74.74 46.79 0.3 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.069 1.348 . . . . 0.0 110.597 168.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.78 -30.7 34.46 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.69 2.796 . . . . 0.0 116.585 -168.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.97 -34.9 72.34 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.095 0.861 . . . . 0.0 112.265 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.87 -16.5 63.26 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.5 mt -96.47 -26.61 15.24 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.287 1.435 . . . . 0.0 112.759 172.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -78.36 -38.31 42.27 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.941 0.792 . . . . 0.0 112.865 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.174 0 CA-C-O 118.173 -1.348 . . . . 0.0 113.327 175.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 119.173 -0.441 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.56 152.08 44.34 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.129 1.372 . . . . 0.0 111.518 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -138.61 -10.59 0.91 Allowed Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.387 1.47 . . . . 0.0 116.168 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.44 -42.8 78.71 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.83 2.315 . . . . 0.0 112.636 -177.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -23.48 67.0 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.395 1.078 . . . . 0.0 113.5 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -77.06 -23.43 52.0 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.933 1.242 . . . . 0.0 112.281 175.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 94.1 t -84.96 -45.5 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 109.159 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.25 -26.24 67.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.155 1.382 . . . . 0.0 112.173 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.8 -31.89 72.14 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.069 -1.019 . . . . 0.0 112.362 169.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -71.46 -17.7 62.35 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 121.15 -0.969 . . . . 0.0 112.769 174.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 29.0 mm -92.68 -35.17 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.638 1.575 . . . . 0.0 110.866 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -53.91 -41.35 67.57 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.259 1.423 . . . . 0.0 111.887 172.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.75 -4.94 34.51 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -97.53 -47.69 5.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.357 1.063 . . . . 0.0 109.6 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 29.77 -127.96 0.12 Allowed Glycine 0 C--N 1.343 0.945 0 C-N-CA 128.815 3.102 . . . . 0.0 117.035 169.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -167.26 -149.95 0.1 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.463 2.305 . . . . 0.0 110.132 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.26 -13.84 0.21 Allowed 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.305 1.842 . . . . 0.0 113.605 -174.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.41 -19.64 66.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 19.6 mmt -48.5 -46.91 39.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.548 1.139 . . . . 0.0 112.465 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -63.94 -24.15 67.62 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -94.92 -19.95 19.82 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.936 1.695 . . . . 0.0 113.357 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 38.9 m -94.73 -51.57 4.66 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.688 1.195 . . . . 0.0 111.438 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 46.6 mm -64.8 -40.28 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.945 0.898 . . . . 0.0 111.257 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -55.16 -65.75 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.499 1.12 . . . . 0.0 112.189 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -61.4 -36.72 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.329 -0.857 . . . . 0.0 113.028 -176.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.11 77.53 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -80.5 -40.4 26.17 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.671 0.669 . . . . 0.0 111.979 172.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 19.4 t -69.25 -28.29 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.902 1.281 . . . . 0.0 113.577 -171.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -66.08 -17.24 64.57 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 58.8 m -87.41 -8.55 56.42 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 124.164 0.986 . . . . 0.0 112.922 -175.509 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -137.27 152.05 49.36 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.105 1.362 . . . . 0.0 110.913 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -93.2 158.17 23.66 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.807 1.194 . . . . 0.0 112.166 170.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.0 pp -54.62 -39.9 68.39 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.451 1.101 . . . . 0.0 113.388 -173.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -27.69 33.65 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.277 1.431 . . . . 0.0 114.149 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.11 -8.8 58.71 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.562 1.074 . . . . 0.0 113.648 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.48 -39.15 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.643 1.577 . . . . 0.0 109.036 172.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.67 -39.02 86.84 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.317 1.447 . . . . 0.0 111.077 171.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.84 -36.96 50.09 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.311 1.444 . . . . 0.0 112.971 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.4 -25.17 66.64 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.324 -0.86 . . . . 0.0 112.71 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 39.1 mm -87.25 -43.75 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.024 0.93 . . . . 0.0 110.351 172.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -53.33 -39.55 64.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.644 1.178 . . . . 0.0 113.927 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.18 -6.4 34.11 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -108.97 -40.91 4.87 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.981 1.713 . . . . 0.0 111.159 169.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 73.07 -150.83 44.69 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 125.966 1.746 . . . . 0.0 113.539 173.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -154.91 145.26 22.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.017 1.327 . . . . 0.0 110.778 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -69.57 -17.96 63.6 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.048 0.939 . . . . 0.0 113.515 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.48 -22.57 28.17 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 171.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -45.95 75.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.567 1.076 . . . . 0.0 110.986 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -19.87 66.08 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 51.6 ttp85 -85.44 -22.16 28.43 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.615 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 99.8 m -93.1 -49.74 5.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.914 1.685 . . . . 0.0 112.002 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.15 -32.66 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 118.63 0.65 . . . . 0.0 111.197 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -54.92 -59.99 3.98 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.856 0.862 . . . . 0.0 111.679 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.65 -35.12 79.48 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.974 -1.079 . . . . 0.0 112.937 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.2 67.57 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -85.73 -37.43 19.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.762 0.825 . . . . 0.0 111.522 170.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 22.1 t -65.99 -28.44 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 123.919 0.888 . . . . 0.0 113.184 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -65.66 -15.84 63.17 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 171.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 14.0 m -99.2 -9.87 23.17 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.751 1.621 . . . . 0.0 113.322 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.633 1.573 . . . . 0.0 113.507 -176.246 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.19 -21.63 66.64 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 117.161 2.282 . . . . 0.0 117.161 -168.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -53.41 -36.44 38.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -170.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -69.87 -34.87 13.37 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 123.052 2.501 . . . . 0.0 113.155 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.9 tp -80.42 -38.27 30.48 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.182 0.593 . . . . 0.0 111.629 176.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -60.83 -39.99 91.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.025 0.93 . . . . 0.0 111.692 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -70.25 -18.49 63.14 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.91 -52.84 6.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.208 0.913 . . . . 0.0 112.545 169.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.0 pt -65.01 -30.99 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 120.221 1.373 . . . . 0.0 112.02 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -24.46 74.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.343 0.973 . . . . 0.0 112.777 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -52.74 51.96 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.831 1.316 . . . . 0.0 109.887 171.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.62 -42.83 75.46 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.631 1.172 . . . . 0.0 110.851 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.07 -49.56 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 118.73 0.695 . . . . 0.0 111.932 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.73 -32.51 74.34 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.832 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mt -63.66 -52.02 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 118.294 1.047 . . . . 0.0 110.267 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.07 -48.68 77.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 111.807 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -26.98 64.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 28.4 ttpt -60.21 -43.01 96.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.105 0.866 . . . . 0.0 111.156 173.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CE2' ' HE2' ' A' ' 18' ' ' LYS . 63.6 m-85 -82.21 -38.4 24.62 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 76.9 p -65.24 -10.78 34.8 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.7 -6.0 89.19 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 118.885 -0.953 . . . . 0.0 114.762 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -75.0 -44.63 47.0 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.317 1.558 . . . . 0.0 112.691 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -160.47 -12.79 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.14 -143.05 7.76 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 126.181 1.848 . . . . 0.0 113.726 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -150.75 177.64 9.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.009 1.324 . . . . 0.0 111.52 -174.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -49.62 -21.89 1.15 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.958 2.103 . . . . 0.0 116.259 -175.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 17.27 2.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.34 1.456 . . . . 0.0 114.721 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -159.5 143.78 15.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.38 1.072 . . . . 0.0 113.354 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -113.55 153.53 28.63 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.191 1.796 . . . . 0.0 109.35 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 p -76.57 164.32 26.05 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.185 -0.947 . . . . 0.0 110.504 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.04 -36.0 72.12 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.128 -1.608 . . . . 0.0 113.392 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -75.24 -38.01 60.78 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.234 1.014 . . . . 0.0 112.741 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -67.33 -40.6 85.91 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.31 1.044 . . . . 0.0 111.009 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.9 tm? -58.77 -47.43 84.74 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 124.555 1.142 . . . . 0.0 109.003 169.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -52.71 -36.01 56.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.994 0.816 . . . . 0.0 112.901 177.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.7 -48.53 76.76 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.753 0.821 . . . . 0.0 111.427 174.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.89 -53.54 47.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.663 1.585 . . . . 0.0 111.548 172.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.2 pt -72.19 -26.81 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -64.28 -31.84 73.2 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.774 1.17 . . . . 0.0 111.905 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -62.53 1.64 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.675 0.79 . . . . 0.0 111.353 170.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -78.25 -33.11 49.91 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 -167.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -118.96 42.3 2.84 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.55 1.54 . . . . 0.0 109.805 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -53.62 -44.68 69.69 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -168.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.9 mt 72.73 123.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 126.989 2.115 . . . . 0.0 110.342 -171.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.75 24.56 14.5 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.388 1.471 . . . . 0.0 115.52 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -158.95 157.02 30.55 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.453 1.627 . . . . 0.0 113.719 -173.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . 0.252 19.1 ptpt 47.76 -160.15 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.83 2.852 . . . . 0.0 116.42 175.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -77.62 66.99 3.44 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.801 1.64 . . . . 0.0 109.57 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -33.27 66.26 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -169.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.37 -29.98 69.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.302 0.955 . . . . 0.0 113.164 -176.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.1 -27.78 68.32 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.558 1.143 . . . . 0.0 112.928 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -80.09 -38.77 31.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.975 0.91 . . . . 0.0 110.519 169.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 mm -61.02 -43.96 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.164 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.7 m -66.06 -26.6 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 119.978 1.263 . . . . 0.0 113.049 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -79.88 -37.22 35.29 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.397 0.999 . . . . 0.0 112.494 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.06 -41.01 97.71 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.88 1.218 . . . . 0.0 110.845 169.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.49 -45.47 91.58 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.13 1.372 . . . . 0.0 111.085 172.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.06 -44.53 96.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.643 0.777 . . . . 0.0 112.001 176.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.65 -29.38 69.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.201 0.91 . . . . 0.0 112.759 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.18 -51.95 21.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.13 1.372 . . . . 0.0 112.015 169.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -72.26 -27.81 62.73 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.223 1.809 . . . . 0.0 113.686 -171.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -10.62 60.07 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.936 1.088 . . . . 0.0 113.936 -176.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -71.69 -19.81 62.02 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.578 0.751 . . . . 0.0 112.246 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -123.93 -97.19 0.44 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.798 1.639 . . . . 0.0 111.822 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -163.08 -71.46 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.107 1.363 . . . . 0.0 112.397 -170.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -142.77 20.24 1.99 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.334 1.853 . . . . 0.0 111.793 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -156.88 162.94 39.66 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.231 1.812 . . . . 0.0 111.175 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.56 112.3 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.178 1.391 . . . . 0.0 109.249 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -79.78 168.62 19.06 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.57 -36.7 84.65 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -173.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -66.9 -46.5 74.69 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.589 -0.694 . . . . 0.0 110.681 174.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.51 -36.11 81.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.733 0.813 . . . . 0.0 112.265 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -55.44 -51.8 65.73 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.906 0.882 . . . . 0.0 111.643 170.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 mt -73.51 -39.53 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.887 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.3 m -60.05 -36.11 76.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.247 1.019 . . . . 0.0 111.596 172.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -72.94 -35.61 67.03 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.169 0.895 . . . . 0.0 112.766 173.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.9 -29.65 70.35 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.425 1.466 . . . . 0.0 111.493 170.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.01 -35.85 92.36 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 123.966 0.793 . . . . 0.0 113.353 169.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.59 -45.5 62.0 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.476 1.138 . . . . 0.0 112.089 169.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.41 -45.21 76.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.935 1.294 . . . . 0.0 111.177 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.49 -27.8 69.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.977 1.311 . . . . 0.0 113.789 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.4 tmm? -77.45 -35.73 53.66 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.872 1.269 . . . . 0.0 112.235 175.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.16 -35.21 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.613 1.097 . . . . 0.0 110.88 170.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -72.32 39.4 0.08 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.81 1.644 . . . . 0.0 112.629 174.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -43.5 -30.36 0.56 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 129.699 3.199 . . . . 0.0 118.641 -168.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.19 -32.33 66.35 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 121.598 1.999 . . . . 0.0 112.919 173.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -18.15 62.39 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.196 1.398 . . . . 0.0 113.959 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.86 17.11 10.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.255 1.822 . . . . 0.0 113.233 175.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -73.95 -28.33 61.45 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 120.261 -1.524 . . . . 0.0 111.719 169.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 C-N-CA 125.697 1.618 . . . . 0.0 113.766 176.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 119.721 -0.181 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.86 -20.93 26.76 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.031 0.933 . . . . 0.0 112.867 170.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -46.0 -35.91 4.74 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.33 -44.85 21.05 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.564 2.176 . . . . 0.0 113.293 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 26.7 tp -79.51 -36.73 38.1 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.796 0.725 . . . . 0.0 111.536 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.75 -34.36 78.14 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.362 0.665 . . . . 0.0 112.509 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -74.36 -31.8 62.53 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.736 0.698 . . . . 0.0 111.749 171.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.17 66.19 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.457 1.026 . . . . 0.0 111.962 177.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -66.85 -31.4 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.105 -0.997 . . . . 0.0 111.211 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -28.97 72.99 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.727 1.155 . . . . 0.0 113.417 171.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -49.84 63.27 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.539 1.17 . . . . 0.0 110.654 174.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 mp -59.99 -41.29 91.74 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.813 0.845 . . . . 0.0 111.282 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.5 mt -65.51 -44.84 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 118.473 0.579 . . . . 0.0 110.898 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.91 -34.23 81.71 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.644 1.116 . . . . 0.0 113.071 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 23.0 mt -68.66 -53.26 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 117.909 0.854 . . . . 0.0 109.888 169.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -60.82 -55.7 29.95 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -173.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.52 -22.97 64.49 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -168.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -53.41 -41.81 66.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.123 0.969 . . . . 0.0 112.294 172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -80.95 -37.7 28.99 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.2 m -52.16 -24.72 7.51 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.08 -6.29 84.93 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 118.854 -0.97 . . . . 0.0 115.118 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -80.97 -39.27 26.3 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.24 1.52 . . . . 0.0 113.502 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -142.29 -32.12 0.51 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.651 1.18 . . . . 0.0 113.279 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -138.11 5.42 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.865 1.698 . . . . 0.0 114.137 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.7 166.45 24.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.216 1.806 . . . . 0.0 110.113 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.86 16.47 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 117.83 2.529 . . . . 0.0 117.83 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -153.01 10.6 0.46 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.722 1.609 . . . . 0.0 114.151 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -150.46 166.18 30.92 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.938 1.295 . . . . 0.0 112.312 -169.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.61 135.83 47.27 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 126.134 1.774 . . . . 0.0 109.306 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.0 t -78.31 148.45 33.8 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.557 -0.715 . . . . 0.0 109.823 169.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -58.34 -28.09 64.77 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 119.986 -1.696 . . . . 0.0 115.32 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -79.67 -27.1 40.83 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 172.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.35 -38.36 55.99 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.283 1.833 . . . . 0.0 109.897 173.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.99 -39.79 91.03 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.95 2.1 . . . . 0.0 110.971 169.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.98 -34.79 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.065 -1.647 . . . . 0.0 113.372 170.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -66.53 -42.05 87.83 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.627 0.649 . . . . 0.0 110.672 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.79 -54.07 50.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.166 170.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.56 -46.71 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 120.359 1.436 . . . . 0.0 111.885 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.73 -31.76 73.04 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.282 0.492 . . . . 0.0 111.973 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -85.32 -35.55 21.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.426 1.09 . . . . 0.0 112.906 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.23 -63.99 0.96 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.468 1.907 . . . . 0.0 110.129 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -85.23 -63.41 1.33 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.737 -0.602 . . . . 0.0 111.082 -173.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m 63.12 52.71 2.45 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.934 1.693 . . . . 0.0 109.615 -174.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.6 mt -54.28 119.63 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.859 1.263 . . . . 0.0 111.125 -169.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.55 43.98 3.29 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.341 1.448 . . . . 0.0 113.278 -175.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -159.17 155.56 27.38 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.297 1.039 . . . . 0.0 112.754 -173.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt 55.88 -141.97 0.8 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.067 1.747 . . . . 0.0 111.664 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.0 mt -85.64 -12.05 52.32 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.577 1.151 . . . . 0.0 113.319 174.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 69.31 -65.76 0.28 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 129.129 2.972 . . . . 0.0 110.738 -173.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.68 -37.65 87.28 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.214 1.006 . . . . 0.0 112.687 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -24.13 67.53 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.925 0.89 . . . . 0.0 113.042 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 -41.27 24.07 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.321 0.648 . . . . 0.0 110.293 169.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.38 -41.44 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.338 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.6 m -68.96 -24.47 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-N 119.489 1.04 . . . . 0.0 113.074 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -80.43 -36.84 33.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.065 0.848 . . . . 0.0 111.958 169.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.55 -40.64 84.98 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.54 -0.725 . . . . 0.0 111.691 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -28.83 69.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.642 0.655 . . . . 0.0 111.869 176.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.93 -28.02 64.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.094 1.358 . . . . 0.0 112.47 170.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.6 -26.24 37.96 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -47.77 33.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.425 1.09 . . . . 0.0 111.296 170.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.11 -1.48 26.27 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.28 1.432 . . . . 0.0 113.427 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -57.23 -23.4 47.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.11 1.364 . . . . 0.0 112.478 170.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -78.62 -8.49 58.69 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.004 1.721 . . . . 0.0 113.691 174.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -148.99 -107.62 0.08 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.096 1.359 . . . . 0.0 112.518 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 166.64 -15.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 129.62 3.168 . . . . 0.0 113.987 -169.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -147.48 -29.23 0.35 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -174.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -160.17 153.08 21.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.939 0.895 . . . . 0.0 112.184 -169.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.54 116.74 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.194 1.797 . . . . 0.0 109.212 -172.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -77.59 155.57 31.4 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.209 1.004 . . . . 0.0 111.381 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.27 -46.66 36.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.367 1.467 . . . . 0.0 114.723 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -69.62 -32.92 71.92 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.049 0.84 . . . . 0.0 111.757 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -70.41 -36.41 74.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.088 0.955 . . . . 0.0 111.677 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.92 -45.51 93.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.929 0.891 . . . . 0.0 111.826 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.0 -35.46 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.27 -0.894 . . . . 0.0 111.774 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 43.4 m -59.09 -45.36 91.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.951 1.301 . . . . 0.0 110.709 171.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.2 -39.75 95.52 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.354 0.662 . . . . 0.0 112.456 175.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.43 -23.83 67.42 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 118.716 -0.659 . . . . 0.0 112.591 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.57 95.29 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.604 1.093 . . . . 0.0 111.656 170.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.4 81.97 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.061 0.93 . . . . 0.0 112.414 172.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.55 -39.66 94.15 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.39 0.676 . . . . 0.0 111.398 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.99 95.6 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.99 1.316 . . . . 0.0 112.266 172.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.3 tpt -65.1 -31.37 72.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.76 0.824 . . . . 0.0 112.304 174.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.26 -27.01 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.071 0.948 . . . . 0.0 112.814 172.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -77.5 49.12 0.7 Allowed 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.387 0.994 . . . . 0.0 111.647 169.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -53.11 -25.3 12.57 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.268 1.827 . . . . 0.0 114.953 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.77 -39.1 73.44 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.38 1.072 . . . . 0.0 112.336 171.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.99 66.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.168 0.987 . . . . 0.0 112.305 175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.89 1.11 24.65 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.403 1.481 . . . . 0.0 112.597 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -76.74 -22.95 53.11 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.85 1.205 . . . . 0.0 113.234 169.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.252 0 C-N-CA 125.473 1.511 . . . . 0.0 113.573 -175.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 36.5 p . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -86.95 -7.61 58.01 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -170.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -68.1 141.55 37.92 Favored Glycine 0 CA--C 1.533 1.184 0 O-C-N 121.11 -0.994 . . . . 0.0 111.825 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.4 pp -54.28 -34.85 61.76 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.597 1.159 . . . . 0.0 113.741 -171.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -50.71 -29.37 11.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.937 1.695 . . . . 0.0 113.358 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -65.58 -22.82 66.72 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.697 1.199 . . . . 0.0 113.696 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 78.4 t -98.44 -40.46 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.668 1.587 . . . . 0.0 109.703 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.09 -38.0 89.42 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.946 1.298 . . . . 0.0 111.244 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.64 -18.0 64.54 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -70.83 -23.6 62.37 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.142 -0.974 . . . . 0.0 112.651 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 95.5 mt -76.57 -32.01 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.095 1.358 . . . . 0.0 111.231 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -53.36 -40.8 65.23 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.314 1.045 . . . . 0.0 112.664 171.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -72.13 -0.41 11.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.732 1.613 . . . . 0.0 113.917 -176.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.87 -27.5 66.72 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.239 1.016 . . . . 0.0 112.175 170.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 74.25 44.64 27.84 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.304 0.954 . . . . 0.0 114.855 169.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.07 132.65 53.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.053 0.927 . . . . 0.0 113.475 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -82.68 -26.2 32.31 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -174.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.36 -23.6 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.017 0.826 . . . . 0.0 112.613 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 13.5 tpt -59.99 -46.03 90.79 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.536 0.607 . . . . 0.0 110.222 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -58.28 -33.77 69.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.293 1.037 . . . . 0.0 112.465 174.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -74.89 -41.19 60.23 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.708 0.685 . . . . 0.0 111.441 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 97.0 m -63.24 -43.07 99.07 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.33 1.452 . . . . 0.0 111.924 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.35 -33.41 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.818 0.847 . . . . 0.0 112.411 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.54 -56.03 5.1 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.492 0.717 . . . . 0.0 112.603 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -72.58 -31.26 65.09 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -172.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.17 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.949 1.3 . . . . 0.0 114.358 -173.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -69.46 -36.91 77.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.514 1.125 . . . . 0.0 112.217 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 89.3 t -88.84 -36.99 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 125.936 1.695 . . . . 0.0 112.344 -170.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -76.72 -2.66 34.07 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 48.1 t -74.66 53.96 0.59 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 125.408 1.483 . . . . 0.0 110.027 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 128.127 2.571 . . . . 0.0 113.239 -169.907 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 51.2 p . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.474 0.178 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -162.38 166.86 24.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.709 1.604 . . . . 0.0 111.395 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -159.15 142.15 8.11 Favored Glycine 0 N--CA 1.467 0.737 0 C-N-CA 124.793 1.187 . . . . 0.0 112.427 174.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . 0.496 ' H ' HD23 ' D' ' 192' ' ' LEU . 2.1 pt? -55.11 -42.29 72.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.744 1.217 . . . . 0.0 113.255 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -55.68 -34.64 65.22 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.571 1.148 . . . . 0.0 112.725 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.01 -22.76 66.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.02 0.928 . . . . 0.0 113.368 178.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.17 -43.14 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.543 1.537 . . . . 0.0 109.791 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.78 -32.01 72.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.5 1.52 . . . . 0.0 111.994 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.16 -36.2 77.02 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.344 -0.847 . . . . 0.0 112.124 171.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -68.89 -19.29 64.22 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 51.7 mt -89.89 -42.6 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.184 1.394 . . . . 0.0 110.833 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -52.85 -44.38 66.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.215 1.006 . . . . 0.0 113.056 173.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.55 -1.32 20.93 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -174.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -75.25 -25.88 58.4 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 137.32 -153.18 21.8 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.738 1.161 . . . . 0.0 114.778 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 78.75 143.71 0.08 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 129.534 3.134 . . . . 0.0 112.274 -175.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -144.71 14.42 1.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -169.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -83.65 -20.09 34.22 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.823 -1.173 . . . . 0.0 113.929 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 55.2 mtt -59.07 -56.32 23.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.183 0.993 . . . . 0.0 109.833 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -61.18 -28.85 69.43 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.843 1.257 . . . . 0.0 113.78 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -71.14 -37.34 72.27 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.531 1.06 . . . . 0.0 111.334 175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 29.7 m -73.75 -46.58 44.94 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.194 0.998 . . . . 0.0 111.075 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 76.8 mt -58.02 -40.33 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.598 1.159 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -58.94 -59.25 5.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.422 0.556 . . . . 0.0 111.859 173.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -62.99 -36.44 83.55 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.749 1.159 . . . . 0.0 113.052 -177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -67.8 -22.61 65.17 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -85.08 -46.15 11.42 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.984 0.513 . . . . 0.0 110.32 169.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 44.6 t -70.78 -20.67 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.123 1.369 . . . . 0.0 113.717 -169.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.69 -22.47 46.29 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 169.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 32.9 m -107.18 -0.78 22.48 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.166 1.386 . . . . 0.0 113.982 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.338 1.455 . . . . 0.0 112.769 -177.723 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.1 mmm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.17 -45.18 0.58 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 128.202 2.601 . . . . 0.0 114.043 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -59.71 -29.42 5.77 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -64.13 -42.55 17.98 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.583 2.189 . . . . 0.0 112.395 170.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 tp -74.39 -39.04 62.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.724 0.693 . . . . 0.0 111.714 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.4 -43.41 88.54 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.401 1.081 . . . . 0.0 112.752 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -73.5 -13.81 61.11 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.77 -53.66 5.72 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.95 -1.094 . . . . 0.0 111.591 169.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 pt -61.46 -35.62 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.563 1.074 . . . . 0.0 112.063 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -22.51 67.93 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.894 1.235 . . . . 0.0 113.871 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -57.1 5.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.795 1.238 . . . . 0.0 109.62 178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.11 -36.71 68.5 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.781 1.232 . . . . 0.0 111.805 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -44.5 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 118.757 0.708 . . . . 0.0 111.634 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.27 -34.18 51.88 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.382 -0.677 . . . . 0.0 112.888 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -57.28 -48.55 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 118.152 0.976 . . . . 0.0 110.643 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -70.3 -53.88 14.96 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.784 0.833 . . . . 0.0 112.093 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.54 -20.38 62.81 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -54.18 -39.09 66.31 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.8 0.84 . . . . 0.0 111.21 169.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -83.0 -30.46 28.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.369 1.468 . . . . 0.0 114.581 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -65.74 -46.44 78.84 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.183 0.901 . . . . 0.0 112.094 169.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.87 -13.83 69.72 Favored Glycine 0 N--CA 1.472 1.056 0 C-N-CA 125.356 1.455 . . . . 0.0 114.37 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.06 -41.74 98.46 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.32 1.048 . . . . 0.0 111.07 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -94.88 -19.19 20.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.141 1.376 . . . . 0.0 112.458 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.61 17.74 40.77 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.974 1.274 . . . . 0.0 113.556 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -74.92 160.07 31.06 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.184 0.994 . . . . 0.0 112.55 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -83.61 -133.17 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.202 1.001 . . . . 0.0 110.672 175.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -73.78 37.09 0.09 Allowed 'General case' 0 CA--C 1.559 1.302 0 O-C-N 120.025 -1.672 . . . . 0.0 114.856 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.7 p -145.86 158.63 43.85 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.377 2.271 . . . . 0.0 111.172 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 pp -160.36 164.31 32.55 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.722 1.609 . . . . 0.0 111.386 169.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.8 p -78.61 155.62 29.5 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.198 -1.564 . . . . 0.0 112.359 -177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -62.1 -24.25 67.01 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.759 -1.213 . . . . 0.0 113.862 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -71.08 -44.64 65.28 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.96 -1.087 . . . . 0.0 111.724 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.18 -31.33 71.65 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.672 0.789 . . . . 0.0 112.151 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD11 HD13 ' A' ' 60' ' ' LEU . 1.3 tm? -59.24 -48.98 79.58 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.189 1.396 . . . . 0.0 110.213 169.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -64.27 -32.7 74.39 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.729 -1.232 . . . . 0.0 111.799 175.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.57 -44.41 97.08 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.746 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tt -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.46 1.104 . . . . 0.0 110.779 171.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.83 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 117.868 0.304 . . . . 0.0 111.148 -176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -76.08 -23.54 55.0 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.718 -0.658 . . . . 0.0 112.614 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -87.58 -39.14 15.36 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 171.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -86.48 -56.53 3.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.111 0.869 . . . . 0.0 110.875 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.72 48.08 1.34 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.5 1.52 . . . . 0.0 110.747 -169.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 p -49.42 99.93 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.573 2.749 . . . . 0.0 114.008 -169.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.7 -11.7 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.71 1.204 . . . . 0.0 113.595 171.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.12 -52.14 3.3 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.948 1.737 . . . . 0.0 114.457 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 t -82.76 117.24 22.52 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.479 1.112 . . . . 0.0 112.165 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -65.88 -17.46 64.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.16 -19.32 64.79 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.553 1.141 . . . . 0.0 112.538 175.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -74.29 -13.38 60.76 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.654 0.782 . . . . 0.0 112.781 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -54.8 -33.59 61.68 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.148 1.34 . . . . 0.0 113.337 -176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -28.14 69.58 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.576 1.15 . . . . 0.0 113.479 174.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -80.85 -42.02 22.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.169 0.988 . . . . 0.0 110.299 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -64.33 -36.7 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.469 -0.769 . . . . 0.0 111.763 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 m -67.22 -31.13 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.784 1.174 . . . . 0.0 112.503 174.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -74.79 -31.39 61.73 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.226 0.921 . . . . 0.0 112.044 173.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -67.08 -40.33 86.96 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.465 -0.772 . . . . 0.0 110.995 169.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -64.18 -35.04 79.51 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.48 1.112 . . . . 0.0 111.755 175.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.6 -29.04 69.59 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.887 1.275 . . . . 0.0 113.426 169.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.67 -26.93 37.29 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.94 -1.1 . . . . 0.0 112.804 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 34' ' ' LEU . 1.9 mt -72.83 -36.09 67.41 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.308 -0.87 . . . . 0.0 110.384 169.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.16 -28.08 69.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.023 1.329 . . . . 0.0 112.099 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.04 -29.34 70.23 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.529 -0.732 . . . . 0.0 112.152 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -76.16 -35.8 59.03 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.689 0.677 . . . . 0.0 112.479 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -157.67 121.41 4.11 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.55 1.54 . . . . 0.0 110.611 170.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.27 130.59 46.96 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.418 1.487 . . . . 0.0 113.503 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 72.3 -43.55 0.57 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.497 2.719 . . . . 0.0 114.186 169.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -124.32 115.56 21.2 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.233 2.213 . . . . 0.0 108.651 -177.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.72 118.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 125.277 1.431 . . . . 0.0 108.189 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -83.67 150.28 25.97 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.267 1.027 . . . . 0.0 110.449 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.61 -42.62 62.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.175 1.39 . . . . 0.0 114.567 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.54 -42.92 95.44 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.627 -0.671 . . . . 0.0 111.061 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.47 -27.09 62.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.848 1.259 . . . . 0.0 112.324 -178.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.65 -45.53 78.71 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.461 1.104 . . . . 0.0 111.04 169.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.1 mt -70.17 -32.59 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 121.209 -0.932 . . . . 0.0 111.362 175.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 84.9 m -58.19 -38.53 76.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.387 1.075 . . . . 0.0 111.315 172.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -69.78 -41.6 74.92 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.56 0.744 . . . . 0.0 112.439 172.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.21 -27.8 66.06 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.351 0.978 . . . . 0.0 111.606 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.67 -27.52 73.28 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.079 1.323 . . . . 0.0 114.147 171.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.24 -44.04 18.35 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.099 1.449 . . . . 0.0 110.788 169.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.5 tp -53.71 -43.46 69.02 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.072 1.349 . . . . 0.0 111.618 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.95 -27.66 45.3 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.687 1.595 . . . . 0.0 114.019 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 64.9 mtp -80.27 -31.47 38.36 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.578 1.151 . . . . 0.0 112.648 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.32 -35.83 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.145 0.978 . . . . 0.0 110.163 170.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.81 39.33 0.07 Allowed 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.543 2.337 . . . . 0.0 112.987 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.77 -22.97 10.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 128.589 2.756 . . . . 0.0 118.138 -169.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.23 -19.13 65.82 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 121.368 1.894 . . . . 0.0 112.635 174.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.6 64.23 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 119.269 0.94 . . . . 0.0 113.414 173.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -88.67 -18.99 26.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.063 1.345 . . . . 0.0 111.536 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -89.53 -44.66 9.95 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.665 1.586 . . . . 0.0 112.034 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.083 0 C-N-CA 126.439 1.971 . . . . 0.0 112.283 -173.182 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.77 -13.89 59.76 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.1 p -49.41 -42.4 64.86 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -65.56 -27.56 53.58 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.926 2.417 . . . . 0.0 113.878 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 31.1 tp -82.64 -38.77 23.02 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.578 1.081 . . . . 0.0 112.169 169.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.14 -36.07 76.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.306 1.042 . . . . 0.0 112.492 178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -72.17 -19.53 61.74 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 172.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.02 -54.47 5.04 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.553 1.069 . . . . 0.0 112.202 169.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 pt -63.44 -35.88 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.42 -0.8 . . . . 0.0 111.145 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.7 -24.16 67.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 121.489 -0.757 . . . . 0.0 113.166 173.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -52.55 19.77 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.947 1.374 . . . . 0.0 109.551 176.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.58 -42.49 83.25 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.842 0.857 . . . . 0.0 111.241 176.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.27 -43.86 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 118.545 0.611 . . . . 0.0 111.08 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.75 -31.47 73.17 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.51 1.052 . . . . 0.0 112.897 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mt -69.01 -54.99 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 169.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.31 -59.1 5.64 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.793 1.237 . . . . 0.0 113.676 -172.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -69.94 -17.21 63.31 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -169.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -59.54 -38.35 80.8 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.734 -1.229 . . . . 0.0 112.673 172.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.403 ' CZ ' ' HA ' ' B' ' 37' ' ' LEU . 95.7 m-85 -79.02 -33.28 45.02 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -174.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -74.74 -40.41 61.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.071 0.851 . . . . 0.0 110.777 169.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.32 -16.06 13.45 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 126.237 1.875 . . . . 0.0 114.398 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -57.18 -35.79 70.02 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.124 1.369 . . . . 0.0 112.033 169.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -127.18 -24.54 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.235 1.414 . . . . 0.0 114.323 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.87 165.26 38.76 Favored Glycine 0 N--CA 1.472 1.099 0 CA-C-N 119.96 1.255 . . . . 0.0 114.664 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -74.58 -9.14 58.28 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.96 151.16 26.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.197 1.399 . . . . 0.0 113.547 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 33.44 1.82 Allowed 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 126.137 1.775 . . . . 0.0 113.418 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -124.73 135.56 53.11 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.167 1.787 . . . . 0.0 110.123 178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -108.23 129.75 55.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.538 1.135 . . . . 0.0 111.191 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -79.47 161.34 26.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.696 0.798 . . . . 0.0 112.457 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -48.97 -52.5 24.5 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.487 -1.383 . . . . 0.0 113.358 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -66.72 -31.28 71.84 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.804 1.642 . . . . 0.0 113.135 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.25 -35.68 58.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.441 1.896 . . . . 0.0 110.624 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -69.42 -42.09 75.48 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.558 1.143 . . . . 0.0 110.074 169.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -60.68 -36.33 78.48 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.734 -1.229 . . . . 0.0 111.711 174.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.02 -45.32 89.43 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.328 1.051 . . . . 0.0 112.141 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.403 ' HA ' ' CZ ' ' B' ' 19' ' ' TYR . 6.4 tt -52.81 -49.05 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.457 1.103 . . . . 0.0 111.927 170.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.92 -54.06 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-N 118.433 0.56 . . . . 0.0 111.812 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -65.07 -29.35 70.23 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -174.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -86.33 -46.6 10.14 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 175.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -85.52 -44.62 12.53 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.94 0.791 . . . . 0.0 111.231 -172.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -79.43 -69.73 0.56 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.305 0.957 . . . . 0.0 108.433 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t 139.95 -163.47 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.334 1 C-N-CA 132.931 4.493 . . . . 0.0 107.895 -176.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -149.01 -38.12 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 169.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.58 -44.43 1.72 Allowed Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.639 1.114 . . . . 0.0 115.205 173.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.7 p -158.1 156.44 30.99 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.821 1.31 . . . . 0.0 114.075 -175.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -66.13 -23.32 66.47 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.439 -0.788 . . . . 0.0 112.295 172.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.52 -34.12 73.81 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.5 1.12 . . . . 0.0 111.465 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -80.71 -31.51 36.1 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.005 0.522 . . . . 0.0 111.753 169.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.03 -32.79 72.4 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.834 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.59 -27.63 68.77 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.704 1.202 . . . . 0.0 113.324 169.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.77 -39.78 26.25 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.607 0.763 . . . . 0.0 110.768 170.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mm -64.8 -37.55 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 118.102 -0.952 . . . . 0.0 112.167 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.78 -30.54 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.416 1.462 . . . . 0.0 112.278 173.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -73.4 -38.14 65.71 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.479 -0.763 . . . . 0.0 112.094 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -66.35 -37.08 84.51 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.326 -0.859 . . . . 0.0 111.803 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -60.33 -39.05 85.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.013 0.925 . . . . 0.0 111.319 170.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -64.86 -31.61 72.93 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.348 1.059 . . . . 0.0 113.581 170.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.75 -20.28 58.42 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.321 1.048 . . . . 0.0 113.741 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -81.08 -43.19 19.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.477 1.111 . . . . 0.0 110.359 169.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -61.64 -18.92 61.48 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.02 1.728 . . . . 0.0 113.372 171.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -53.84 -33.2 55.53 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.155 1.382 . . . . 0.0 112.327 170.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.51 -42.08 68.45 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.943 0.897 . . . . 0.0 112.682 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -163.2 133.78 4.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.331 1.852 . . . . 0.0 110.793 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.58 136.17 47.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.884 0.873 . . . . 0.0 113.009 -174.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 76.04 -28.02 0.18 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 129.194 2.998 . . . . 0.0 113.075 169.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -153.69 140.9 19.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.0 1.72 . . . . 0.0 110.55 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.39 130.44 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.712 2.005 . . . . 0.0 108.802 -173.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.94 159.26 26.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.844 0.83 . . . . 0.0 112.699 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -39.13 -56.15 1.51 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.862 2.465 . . . . 0.0 114.714 171.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -64.26 -35.79 82.0 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.485 1.039 . . . . 0.0 111.836 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -72.82 -32.68 65.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.63 1.172 . . . . 0.0 112.051 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.59 -44.46 90.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.063 0.945 . . . . 0.0 111.358 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 49.6 mm -63.87 -42.07 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 O-C-N 121.617 -0.677 . . . . 0.0 111.012 173.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 95.7 m -59.09 -45.1 91.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.236 1.414 . . . . 0.0 111.048 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.44 -41.58 96.48 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.172 0.589 . . . . 0.0 112.27 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.33 -28.78 68.94 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.291 0.95 . . . . 0.0 112.198 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.7 91.4 Favored Glycine 0 N--CA 1.468 0.812 0 CA-C-N 119.026 0.83 . . . . 0.0 112.589 170.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.54 95.11 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.926 0.863 . . . . 0.0 112.157 171.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 tp -59.29 -46.4 88.65 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.683 1.193 . . . . 0.0 110.963 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.4 72.49 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.28 1.032 . . . . 0.0 112.545 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 20.6 ttt -69.28 -24.24 63.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.977 0.911 . . . . 0.0 112.78 175.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.25 -25.33 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.046 0.839 . . . . 0.0 111.205 173.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . 0.402 ' HA ' ' CE1' ' C' ' 200' ' ' TYR . 88.3 m-85 -73.38 44.41 0.15 Allowed 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.693 1.235 . . . . 0.0 110.876 168.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.04 -14.63 50.45 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.793 2.037 . . . . 0.0 115.132 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -54.99 -34.22 63.21 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.821 1.191 . . . . 0.0 111.693 169.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.98 52.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.537 1.535 . . . . 0.0 114.536 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 70.2 mt -124.75 -19.24 5.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.0 2.12 . . . . 0.0 112.97 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -74.38 -37.0 63.57 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.954 1.701 . . . . 0.0 112.196 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.241 0 CA-C-O 117.65 -1.639 . . . . 0.0 112.828 -169.387 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 118.918 -0.563 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -162.94 166.27 24.07 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.942 1.697 . . . . 0.0 112.524 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . 82.68 -15.67 29.72 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.219 1.39 . . . . 0.0 115.627 170.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.24 -69.2 0.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.054 1.342 . . . . 0.0 110.112 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -57.08 -29.26 63.32 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.336 1.055 . . . . 0.0 112.399 -175.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.87 -23.7 67.45 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 63.2 t -95.95 -34.06 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.399 1.08 . . . . 0.0 109.758 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.57 -29.42 65.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.189 1.396 . . . . 0.0 111.798 173.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -57.38 -30.64 65.06 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.774 1.23 . . . . 0.0 112.582 170.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.48 -20.81 66.42 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.779 0.832 . . . . 0.0 112.732 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 23.9 mt -88.05 -45.59 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.096 1.359 . . . . 0.0 111.142 170.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' B' ' 84' ' ' TYR . 13.3 t80 -54.86 -39.89 69.12 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 177.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.92 -9.16 57.26 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -98.92 -46.6 5.57 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.358 1.463 . . . . 0.0 109.82 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 66.91 -153.69 52.76 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.317 1.437 . . . . 0.0 115.3 169.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -159.52 156.87 28.92 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.166 1.786 . . . . 0.0 110.605 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -95.47 -23.59 17.05 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.609 1.564 . . . . 0.0 112.36 176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -76.03 -21.43 56.85 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.452 -0.78 . . . . 0.0 113.028 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 51.7 tpp -54.81 -46.0 74.45 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.331 1.052 . . . . 0.0 110.547 171.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -57.87 -39.73 78.51 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.445 1.098 . . . . 0.0 112.195 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -75.52 -33.77 60.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.099 0.96 . . . . 0.0 112.405 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 44.1 m -72.86 -38.13 67.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.298 1.039 . . . . 0.0 112.077 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.21 -45.76 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.745 0.702 . . . . 0.0 109.716 174.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.45 -48.95 79.68 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.507 -0.746 . . . . 0.0 112.179 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -49.45 -56.27 10.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.94 1.296 . . . . 0.0 111.278 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -66.72 -21.9 66.07 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -84.35 -39.63 18.88 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.683 0.674 . . . . 0.0 112.475 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 73.0 t -87.93 -31.81 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -169.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -71.71 -9.31 58.09 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -173.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 12.4 m -67.82 -16.99 64.36 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.577 1.551 . . . . 0.0 113.623 172.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.18 1.792 . . . . 0.0 113.168 -175.349 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -167.85 155.96 8.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.741 1.617 . . . . 0.0 111.116 -173.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.03 37.89 1.97 Allowed Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.482 1.515 . . . . 0.0 115.272 -170.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.87 -41.61 71.05 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.975 1.31 . . . . 0.0 113.121 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -57.63 -24.95 59.25 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 125.384 1.474 . . . . 0.0 113.719 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.62 -23.12 64.4 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.79 -38.68 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.455 1.102 . . . . 0.0 109.262 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.76 -36.21 82.34 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.749 1.62 . . . . 0.0 111.089 170.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.7 -36.19 69.35 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.397 1.079 . . . . 0.0 112.934 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -61.61 -24.27 66.57 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.129 -0.982 . . . . 0.0 112.677 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 18.6 mm -83.63 -39.43 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.78 1.232 . . . . 0.0 111.595 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -66.8 -39.01 87.61 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.637 0.732 . . . . 0.0 111.979 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.72 0.36 27.04 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.389 1.076 . . . . 0.0 113.523 -177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.97 -22.32 64.11 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.781 0.832 . . . . 0.0 112.088 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . 94.77 148.49 24.21 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.943 1.735 . . . . 0.0 114.342 171.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -163.55 174.42 11.83 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.549 1.94 . . . . 0.0 110.527 174.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -133.62 -15.0 2.45 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.321 1.849 . . . . 0.0 113.344 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -70.48 -35.79 73.47 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.516 1.053 . . . . 0.0 113.591 -172.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 56.3 ttm -46.42 -46.71 18.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.704 1.202 . . . . 0.0 112.173 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.52 -22.41 66.71 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.067 0.947 . . . . 0.0 113.118 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 34.5 ttp-105 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.517 1.127 . . . . 0.0 111.139 171.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 77.2 m -65.23 -43.24 92.05 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.81 1.644 . . . . 0.0 112.726 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 27.6 mm -64.91 -41.07 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.741 0.701 . . . . 0.0 110.87 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -60.08 -50.14 74.9 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.862 0.465 . . . . 0.0 111.219 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -55.51 -55.75 28.26 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.273 -0.892 . . . . 0.0 112.118 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -59.22 -28.01 66.27 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.598 1.09 . . . . 0.0 113.719 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -76.33 -39.93 52.73 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.432 -0.792 . . . . 0.0 112.646 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 50.5 t -77.19 -42.4 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 125.367 1.467 . . . . 0.0 114.045 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -67.56 -11.73 58.75 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.204 1.802 . . . . 0.0 115.238 -169.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 6.4 p -148.3 127.78 13.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.06 1.344 . . . . 0.0 109.663 169.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.29 1.436 . . . . 0.0 112.619 -170.621 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 mmt . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.64 0.257 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.1 4.81 13.57 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -38.91 -50.2 4.04 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.548 2.339 . . . . 0.0 117.029 -169.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.66 -33.85 43.47 Favored 'Trans proline' 0 C--N 1.352 0.754 0 CA-C-N 121.911 1.718 . . . . 0.0 113.095 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.9 tp -81.73 -37.07 27.87 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.173 0.897 . . . . 0.0 112.687 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -60.73 -34.79 74.94 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.531 1.932 . . . . 0.0 112.405 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -72.51 -27.33 62.19 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.61 -48.04 13.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.554 1.07 . . . . 0.0 112.349 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 pt -63.95 -34.83 70.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 O-C-N 121.383 -0.823 . . . . 0.0 110.883 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.14 -24.23 66.93 Favored Glycine 0 C--N 1.345 1.049 0 C-N-CA 124.763 1.173 . . . . 0.0 113.178 171.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -51.65 20.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.989 1.395 . . . . 0.0 110.161 174.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.7 -40.63 79.96 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.943 0.897 . . . . 0.0 111.575 174.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.4 mt -62.13 -51.99 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.526 0.73 . . . . 0.0 110.481 172.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.87 -27.22 73.26 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.329 0.966 . . . . 0.0 114.154 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.9 mt -71.8 -57.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.445 1.098 . . . . 0.0 110.386 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -59.6 -46.01 90.2 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.406 1.003 . . . . 0.0 111.685 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -73.86 -11.68 60.44 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.29 -47.0 71.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 110.643 169.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -81.96 -36.71 27.67 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.106 1.362 . . . . 0.0 113.879 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -71.02 -22.56 62.13 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.807 -1.183 . . . . 0.0 112.575 174.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.1 -18.36 76.72 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.255 0.931 . . . . 0.0 113.165 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -77.92 -47.65 18.17 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.586 1.193 . . . . 0.0 111.267 173.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -152.36 148.55 27.62 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.089 1.356 . . . . 0.0 111.888 -172.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.75 -170.99 48.67 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.438 1.494 . . . . 0.0 113.087 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.16 140.71 43.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.228 0.611 . . . . 0.0 109.4 169.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -60.24 -21.59 62.03 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -170.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -90.87 6.39 44.65 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 120.416 -1.427 . . . . 0.0 114.557 177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.6 p -137.9 165.34 26.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.483 1.913 . . . . 0.0 112.516 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.8 mt -130.46 138.0 50.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.829 1.651 . . . . 0.0 108.589 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.2 m -77.61 149.96 34.71 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.956 -1.09 . . . . 0.0 109.041 169.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -57.88 -37.57 74.2 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.408 -1.432 . . . . 0.0 113.825 -170.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -68.34 -26.82 65.79 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -79.13 -35.27 42.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.36 1.064 . . . . 0.0 111.087 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -61.1 -44.07 97.91 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.078 0.951 . . . . 0.0 110.011 169.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -56.48 -41.83 77.25 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 120.685 -1.26 . . . . 0.0 111.929 171.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.87 -50.23 74.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.636 0.774 . . . . 0.0 111.418 172.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.87 -52.28 50.72 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.382 1.073 . . . . 0.0 111.263 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.65 -48.65 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.503 1.047 . . . . 0.0 111.911 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.55 -27.16 66.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.863 0.465 . . . . 0.0 112.201 -176.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -52.89 5.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.995 0.816 . . . . 0.0 112.894 174.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.3 -42.34 54.89 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.508 -169.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.2 mt -84.16 -76.28 0.31 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 118.127 -0.939 . . . . 0.0 109.246 173.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t 153.77 -174.9 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 131.373 3.869 . . . . 0.0 108.898 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 tp -162.69 147.13 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 127.344 2.258 . . . . 0.0 111.084 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.98 -164.54 21.0 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.786 1.184 . . . . 0.0 113.088 171.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.7 m -77.31 53.35 1.01 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.268 1.427 . . . . 0.0 113.012 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 tptp 71.25 -27.2 0.17 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.923 2.889 . . . . 0.0 114.456 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -59.61 -31.88 69.89 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -75.19 -24.13 57.77 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.052 1.341 . . . . 0.0 112.4 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.47 -16.97 64.51 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 120.799 -1.188 . . . . 0.0 111.973 -177.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.16 -27.44 68.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.229 1.412 . . . . 0.0 113.028 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -80.49 -40.54 25.94 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.162 0.585 . . . . 0.0 109.803 169.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.33 -28.36 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 O-C-N 121.388 -0.82 . . . . 0.0 112.607 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.16 -36.27 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-N 120.985 1.721 . . . . 0.0 112.209 170.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.57 -43.94 75.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.915 0.78 . . . . 0.0 111.551 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.07 -40.56 96.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.862 0.865 . . . . 0.0 112.37 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.0 ttp -58.54 -41.84 86.45 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.031 0.932 . . . . 0.0 111.05 172.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.3 -29.2 63.63 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.486 0.714 . . . . 0.0 112.846 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -73.02 -24.76 60.77 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.98 1.312 . . . . 0.0 112.653 171.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -80.47 -44.6 18.93 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.669 1.588 . . . . 0.0 111.418 170.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -61.21 -14.79 28.19 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.42 1.888 . . . . 0.0 113.772 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -49.63 -21.96 1.18 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.049 2.139 . . . . 0.0 112.745 169.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.85 -43.49 38.8 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.208 1.803 . . . . 0.0 113.91 169.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -156.66 -108.33 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.024 1.33 . . . . 0.0 112.345 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -134.87 -43.06 0.74 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.179 1.354 . . . . 0.0 114.651 -169.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -138.04 0.49 2.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.281 1.832 . . . . 0.0 112.128 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.21 150.8 43.16 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.045 1.738 . . . . 0.0 113.822 -169.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 t -107.51 139.97 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 128.763 2.825 . . . . 0.0 107.552 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -107.88 154.09 22.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.875 0.87 . . . . 0.0 111.519 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -52.88 -49.17 66.39 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -63.05 -39.85 95.97 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.896 0.771 . . . . 0.0 111.43 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -74.65 -31.58 61.99 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.873 1.269 . . . . 0.0 111.29 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.16 -44.97 95.44 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.97 0.908 . . . . 0.0 111.045 169.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.7 mt -70.56 -38.11 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.534 -0.729 . . . . 0.0 111.3 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.7 m -57.91 -43.93 86.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.147 0.979 . . . . 0.0 110.891 172.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.63 -37.16 85.78 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 174.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.95 -26.73 68.96 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.852 1.205 . . . . 0.0 111.699 169.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.3 -35.82 77.52 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.036 0.827 . . . . 0.0 112.983 169.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -42.27 78.28 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.419 1.109 . . . . 0.0 111.526 170.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.43 -44.03 96.19 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.128 0.971 . . . . 0.0 110.494 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -33.16 74.68 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.13 1.372 . . . . 0.0 113.507 172.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -68.84 -38.92 80.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.961 0.904 . . . . 0.0 111.625 171.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.94 -35.22 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.095 0.958 . . . . 0.0 112.059 170.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.93 42.42 0.07 Allowed 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 125.566 1.546 . . . . 0.0 112.382 169.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -52.18 -26.29 11.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.192 2.997 . . . . 0.0 116.649 -169.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -60.56 -37.94 82.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.861 1.209 . . . . 0.0 111.776 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.28 -14.91 62.37 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.1 mt -102.8 6.05 39.07 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.824 2.05 . . . . 0.0 112.505 172.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.42 -38.74 5.14 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.448 1.499 . . . . 0.0 111.778 171.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 C-N-CA 125.701 1.619 . . . . 0.0 114.041 175.612 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 75.78 -51.37 0.63 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 129.612 3.165 . . . . 0.0 112.644 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -47.09 -45.81 53.5 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 125.563 1.545 . . . . 0.0 114.875 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.28 -43.92 21.24 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.956 2.437 . . . . 0.0 113.553 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 21.1 tp -78.3 -39.51 39.57 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.021 0.828 . . . . 0.0 111.277 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.44 -37.43 85.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.863 1.265 . . . . 0.0 112.535 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -74.06 -29.52 61.94 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.446 0.566 . . . . 0.0 112.339 172.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.81 41.45 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.566 1.075 . . . . 0.0 112.107 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 pt -64.34 -34.27 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 O-C-N 121.143 -0.973 . . . . 0.0 110.514 172.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.84 -28.44 72.67 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.78 1.181 . . . . 0.0 113.801 171.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -51.87 53.99 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 119.177 1.489 . . . . 0.0 110.13 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.23 -41.26 83.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.148 0.979 . . . . 0.0 111.509 177.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.42 -42.66 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 118.534 0.606 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.16 -36.09 64.02 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.186 0.898 . . . . 0.0 113.293 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mt -64.88 -42.4 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.358 1.063 . . . . 0.0 110.906 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -76.4 -51.64 11.45 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -175.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -70.01 -25.07 63.42 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -169.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -54.15 -44.32 71.34 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.2 1.0 . . . . 0.0 112.681 171.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -81.5 -27.2 34.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.692 1.197 . . . . 0.0 113.667 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -64.64 -50.24 67.89 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.288 -0.882 . . . . 0.0 112.009 171.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.27 -9.36 87.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.684 1.135 . . . . 0.0 114.005 -175.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -57.94 -38.75 76.52 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.817 1.309 . . . . 0.0 113.048 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -108.64 3.84 23.27 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.082 1.353 . . . . 0.0 113.09 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.51 11.62 79.75 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.59 1.091 . . . . 0.0 115.135 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.22 172.25 13.85 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.073 1.349 . . . . 0.0 112.347 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 176.91 0.87 Allowed 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.998 -1.064 . . . . 0.0 112.377 170.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 22.6 p-80 -67.82 73.06 0.17 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 126.638 1.975 . . . . 0.0 112.813 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 15.5 m -161.05 148.12 15.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 128.534 2.734 . . . . 0.0 108.671 -169.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -121.43 133.05 55.06 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.581 1.153 . . . . 0.0 111.384 177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.5 p -80.89 166.22 21.09 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.13 -0.981 . . . . 0.0 110.164 168.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -56.07 -42.87 77.36 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.323 -1.486 . . . . 0.0 113.009 -171.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -35.57 79.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.194 0.998 . . . . 0.0 113.441 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -75.18 -36.44 61.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.461 0.705 . . . . 0.0 110.874 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.11 -47.79 84.63 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.627 1.171 . . . . 0.0 109.949 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -56.6 -40.04 74.6 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.592 1.087 . . . . 0.0 112.048 174.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -61.49 -42.44 98.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.898 -0.572 . . . . 0.0 111.04 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.11 -59.28 5.53 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.921 0.782 . . . . 0.0 110.868 169.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 27.9 pt -68.65 -27.85 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -171.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -79.4 -39.36 32.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.632 1.105 . . . . 0.0 112.355 172.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -31.15 21.2 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.759 1.618 . . . . 0.0 112.874 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -85.7 -44.34 12.64 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.7 -1.25 . . . . 0.0 112.848 177.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.51 -6.85 24.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -173.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p 39.76 82.56 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 128.443 2.697 . . . . 0.0 114.744 169.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.29 -35.53 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.927 0.891 . . . . 0.0 110.14 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.53 -58.4 2.48 Favored Glycine 0 N--CA 1.477 1.396 0 C-N-CA 126.237 1.875 . . . . 0.0 115.166 169.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -73.54 -38.76 65.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.591 1.156 . . . . 0.0 112.377 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 64.07 7.82 3.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.753 2.021 . . . . 0.0 115.094 171.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.44 -27.63 69.12 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.012 -1.055 . . . . 0.0 112.266 170.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -90.8 11.54 22.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.71 1.204 . . . . 0.0 113.052 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.96 -23.03 67.21 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.062 -1.649 . . . . 0.0 112.604 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.13 72.21 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.68 1.192 . . . . 0.0 112.707 169.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -81.56 -31.84 32.46 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.756 0.822 . . . . 0.0 110.689 169.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 45.2 mm -61.34 -45.32 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.558 1.072 . . . . 0.0 111.82 172.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -64.98 -26.88 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 119.535 1.061 . . . . 0.0 112.973 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.07 -30.91 44.24 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.0 0.818 . . . . 0.0 112.703 169.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -41.67 96.07 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.947 1.248 . . . . 0.0 110.451 169.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.8 mtp -59.86 -39.42 85.16 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.933 0.893 . . . . 0.0 111.403 174.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.58 -29.33 62.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.021 1.328 . . . . 0.0 112.572 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.77 -25.4 49.07 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.333 1.053 . . . . 0.0 112.841 171.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.46 -51.18 25.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.25 1.42 . . . . 0.0 109.304 169.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -61.98 -18.52 60.7 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.833 1.653 . . . . 0.0 114.337 176.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -52.68 -23.18 6.15 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.337 1.455 . . . . 0.0 112.894 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -59.4 -24.47 63.48 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -152.08 -101.53 0.05 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.423 1.489 . . . . 0.0 111.794 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.79 -31.23 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -136.54 -5.4 2.01 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.182 0.993 . . . . 0.0 113.622 -176.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -161.41 162.32 30.59 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.185 1.394 . . . . 0.0 112.395 -169.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 14.1 t -117.75 112.09 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 126.612 1.965 . . . . 0.0 107.816 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -81.13 155.62 26.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 122.521 0.328 . . . . 0.0 110.415 175.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -50.56 -47.15 57.88 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -169.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -57.2 -43.09 82.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.968 0.804 . . . . 0.0 111.758 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -74.26 -29.72 61.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.755 0.822 . . . . 0.0 112.037 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -64.26 -42.17 96.59 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.635 -0.666 . . . . 0.0 111.905 170.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.82 -43.58 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.286 -0.884 . . . . 0.0 111.083 174.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.6 m -60.47 -38.53 84.53 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.972 0.909 . . . . 0.0 111.915 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.24 -39.34 92.57 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.791 . . . . 0.0 112.488 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.81 -27.71 67.78 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.63 1.105 . . . . 0.0 111.891 172.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.74 94.2 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 123.92 0.771 . . . . 0.0 111.958 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.38 86.84 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.386 1.093 . . . . 0.0 112.04 170.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 20.3 tp -56.78 -42.75 79.98 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.418 1.487 . . . . 0.0 111.578 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.24 -36.53 75.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.57 0.748 . . . . 0.0 112.679 172.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.5 mtm -71.14 -27.42 63.55 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.458 1.026 . . . . 0.0 113.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.24 -43.17 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.364 0.984 . . . . 0.0 109.267 169.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -74.09 39.97 0.12 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.288 2.235 . . . . 0.0 113.29 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -52.84 -23.99 8.11 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.866 2.466 . . . . 0.0 116.194 -169.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.52 -31.14 72.05 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.169 1.349 . . . . 0.0 112.253 175.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.68 68.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.525 0.73 . . . . 0.0 112.754 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.93 -43.26 25.06 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.239 1.416 . . . . 0.0 110.097 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -61.07 -49.33 77.79 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.369 1.068 . . . . 0.0 112.366 175.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.351 0 C-N-CA 125.144 1.354 . . . . 0.0 113.275 -170.228 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 189' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 190' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -75.85 149.4 37.85 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.808 0.843 . . . . 0.0 112.399 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 191' ' ' GLY . . . . . . . . . . . . . . . -87.31 149.72 22.18 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.794 1.188 . . . . 0.0 112.163 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 192' ' ' LEU . . . . . . . . . . . . . 4.1 pp -55.9 -33.82 64.99 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.813 1.245 . . . . 0.0 113.015 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 193' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -58.84 -30.67 67.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.979 1.312 . . . . 0.0 113.0 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 194' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -72.33 -13.17 61.42 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 119.694 1.134 . . . . 0.0 113.075 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 195' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 -47.36 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.747 1.219 . . . . 0.0 109.358 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 196' ' ' LEU . . . . . . . . . . . . . 10.5 mt -68.22 -28.56 67.35 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.261 1.424 . . . . 0.0 113.978 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 197' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.0 -29.98 70.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.549 1.068 . . . . 0.0 111.911 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 198' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.31 -31.45 69.94 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.144 -0.973 . . . . 0.0 111.75 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 199' ' ' ILE . . . . . . . . . . . . . 1.2 mp -77.2 -39.28 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.28 1.432 . . . . 0.0 111.145 172.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 200' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -54.84 -43.82 73.38 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.306 -0.871 . . . . 0.0 111.992 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 201' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -80.5 -0.35 37.07 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 202' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -76.11 -33.35 59.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.124 0.97 . . . . 0.0 112.533 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 203' ' ' GLY . . . . . . . . . . . . . . . 166.5 155.35 8.85 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.819 1.2 . . . . 0.0 115.124 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 204' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -172.5 157.91 4.09 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.909 2.484 . . . . 0.0 110.757 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 205' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -159.45 -61.45 0.07 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.546 0.738 . . . . 0.0 112.36 175.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 206' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.95 -23.23 65.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.638 0.775 . . . . 0.0 112.831 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 207' ' ' MET . . . . . . . . . . . . . 55.1 ttm -41.16 -46.01 2.94 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.534 1.934 . . . . 0.0 113.611 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 208' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -84.2 -30.77 25.5 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.222 1.009 . . . . 0.0 112.933 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 209' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -83.4 -49.44 9.32 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.725 1.21 . . . . 0.0 112.803 -173.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 210' ' ' THR . . . . . . . . . . . . . 99.1 m -61.03 -45.28 95.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.857 1.263 . . . . 0.0 112.831 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 211' ' ' ILE . . . . . . . . . . . . . 39.1 pt -59.52 -30.59 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.156 0.983 . . . . 0.0 113.493 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 212' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -77.58 -45.64 24.62 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.634 0.774 . . . . 0.0 110.751 173.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 213' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -58.37 -48.06 81.82 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.169 -0.957 . . . . 0.0 112.12 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 214' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.59 70.99 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.811 0.845 . . . . 0.0 113.217 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 215' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -73.57 -46.38 47.7 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.408 0.683 . . . . 0.0 111.838 170.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 216' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -31.33 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 113.615 0.968 . . . . 0.0 113.615 -170.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.42 -15.7 39.58 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.005 1.722 . . . . 0.0 113.705 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 218' ' ' SER . . . . . . . . . . . . . 67.9 m -91.78 -2.96 56.7 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 173.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 219' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.14 1.376 . . . . 0.0 112.861 179.148 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 189' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.877 0.37 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 190' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -155.72 126.61 6.97 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.077 1.351 . . . . 0.0 109.438 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 191' ' ' GLY . . . . . . . . . . . . . . . -105.51 -0.5 40.26 Favored Glycine 0 N--CA 1.475 1.263 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 -169.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 192' ' ' LEU . . . . . . . . . . . . . 4.5 pp -55.82 -33.96 64.92 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.475 1.637 . . . . 0.0 113.746 -171.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 193' ' ' MET . . . . . . . . . . . . . 25.3 ptp -50.22 -30.97 12.73 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.008 1.323 . . . . 0.0 114.432 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 194' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -72.07 -20.91 61.59 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 176.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 195' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.06 -39.61 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.254 1.422 . . . . 0.0 108.844 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 196' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.93 -38.99 83.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.109 1.364 . . . . 0.0 110.703 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 197' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -58.26 -29.88 66.14 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.209 -0.932 . . . . 0.0 112.709 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 198' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -63.82 -18.57 64.25 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 119.993 -1.692 . . . . 0.0 113.404 176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 199' ' ' ILE . . . . . . . . . . . . . 16.8 mt -81.83 -34.35 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.701 1.2 . . . . 0.0 111.75 169.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 200' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -38.12 84.93 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.816 -1.178 . . . . 0.0 110.274 172.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 201' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.72 -0.5 15.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.915 1.686 . . . . 0.0 113.576 174.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 202' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -109.08 -43.41 4.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.552 1.541 . . . . 0.0 112.925 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 203' ' ' GLY . . . . . . . . . . . . . . . -147.22 137.7 6.8 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.35 0.976 . . . . 0.0 114.341 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 204' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -173.9 120.2 0.29 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.526 2.33 . . . . 0.0 110.021 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 205' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -167.9 -58.58 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.646 1.178 . . . . 0.0 111.628 174.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 206' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -72.18 -26.9 62.25 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 207' ' ' MET . . . . . . . . . . . . . 45.9 ttm -53.26 -54.2 39.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.414 0.552 . . . . 0.0 109.663 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 208' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -64.49 -29.54 70.58 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.204 1.001 . . . . 0.0 112.458 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 209' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -71.55 -28.81 64.11 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.969 0.908 . . . . 0.0 112.102 170.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 210' ' ' THR . . . . . . . . . . . . . 37.7 m -78.19 -42.35 31.76 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.612 1.565 . . . . 0.0 111.943 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 211' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.29 -46.93 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-N 118.969 0.804 . . . . 0.0 110.513 172.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 212' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -54.71 -59.51 4.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 111.755 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 213' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -62.2 -37.74 86.47 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.882 -1.136 . . . . 0.0 113.278 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 214' ' ' ALA . . . . . . . . . . . . . . . -63.53 -34.73 78.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 215' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -78.79 -37.3 41.2 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.559 0.743 . . . . 0.0 112.523 172.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 216' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.15 -35.64 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 124.498 1.119 . . . . 0.0 113.311 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 217' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -63.74 -59.28 4.77 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -169.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 218' ' ' SER . . . . . . . . . . . . . 31.9 p -169.98 150.14 3.77 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.472 1.109 . . . . 0.0 111.917 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 219' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.948 0 C-N-CA 126.388 1.875 . . . . 0.0 110.204 177.691 . . . . . . . . 1 1 . 1 stop_ save_